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Chemical ID: 3941040

c1ccc(cc1)CCNC(=O)C2CCCN2S(=O)(=O)c3ccc(cc3)F

Chemical ID:

3941040

Name [?]:

1-(4-fluorophenyl)sulfonyl-N-phenethyl-pyrrolidine-2-carboxamide

SMILES [?]:

c1ccc(cc1)CCNC(=O)C2CCCN2S(=O)(=O)c3ccc(cc3)F

InChi [?]:

InChI=1/C19H21FN2O3S/c20-16-8-10-17(11-9-16)26(24,25)22-14-4-7-18(22)19(23)21-13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,2,6,14,3,5,13,22,24,21,25,7,8,15,4,23,20,12,10,26,9,16,11,18,19,17/E:(2,3)(5,6)(8,9)(10,11)(24,25)/CRV:26.6/rA:26cCCCCCCCCNCOCCCCNSOOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;d17;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁FN₂O₃S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	2

ZAP Information [?]

Total:	9.17083
Area:	577.302
Solvation:	-5.26171
Coulombic:	-32.1739

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	376.446
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.92
LogP (Chemaxon):	2.78

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value