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Chemical ID: 4746983

c1cc(ccc1C(=NOC(=O)c2ccc(cc2)Cl)N)S(=O)(=O)N3CCOCC3

Chemical ID:

4746983

Name [?]:

[amino-(4-morpholinosulfonylphenyl)-methylene]amino 4-chlorobenzoate

SMILES [?]:

c1cc(ccc1C(=NOC(=O)c2ccc(cc2)Cl)N)S(=O)(=O)N3CCOCC3

InChi [?]:

InChI=1/C18H18ClN3O5S/c19-15-5-1-14(2-6-15)18(23)27-21-17(20)13-3-7-16(8-4-13)28(24,25)22-9-11-26-12-10-22/h1-8H,9-12H2,(H2,20,21)

InChi Info:

AuxInfo=1/1/N:13,17,1,5,14,16,2,4,24,28,25,27,6,12,15,3,7,10,18,19,8,23,11,21,22,26,9,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(24,25)/CRV:28.6/rA:28nCCCCCCCNOCOCCCCCCClNSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s7;s3;d20;d20;s20;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈ClN₃O₅S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9928
Area:	617.905
Solvation:	-4.45483
Coulombic:	-50.4855

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	423.871
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.96
LogP (Chemaxon):	2.34

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

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Chemical Mix	Source	External ID	Descriptor	Value