Chemical ID: 4113673

CN(CC(=O)NCc1ccco1)S(=O)(=O)c2ccc(cc2)Br
Chemical ID:
4113673
Name [?]:
2-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(2-furylmethyl)acetamide
SMILES [?]:
CN(CC(=O)NCc1ccco1)S(=O)(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C14H15BrN2O4S/c1-17(10-14(18)16-9-12-3-2-8-21-12)22(19,20)13-6-4-11(15)5-7-13/h2-8H,9-10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,10,9,18,20,17,21,11,7,3,19,8,16,4,22,6,2,5,14,15,12,13/E:(4,5)(6,7)(19,20)/CRV:22.6/rA:22cCNCCONCCCCCOSOOCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s8s11;s2;d13;d13;s13;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15BrN2O4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.37976
Area:535.669
Solvation:-5.01196
Coulombic:-33.9805
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.25
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.49
LogP (Chemaxon):1.61

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