Chemical ID: 5367396

c1cc2cccc3c2c(c1)N(S3(=O)=O)CC(=O)Nc4cc(cc(c4)Cl)Cl
Chemical ID:
5367396
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)N(S3(=O)=O)CC(=O)Nc4cc(cc(c4)Cl)Cl
InChi [?]:
InChI=1/C18H12Cl2N2O3S/c19-12-7-13(20)9-14(8-12)21-17(23)10-22-15-5-1-3-11-4-2-6-16(18(11)15)26(22,24)25/h1-9H,10H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,6,22,20,24,15,3,21,23,19,9,7,16,8,26,25,18,11,17,13,14,12/E:(8,9)(12,13)(19,20)(24,25)/CRV:26.6/rA:26cCCCCCCCCCCNSOOCCONCCCCCCClCl/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s7s11;d12;d12;s11;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12Cl2N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.5678
Area:575.156
Solvation:-3.81111
Coulombic:-28.3779
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:407.271
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.5
LogP (Chemaxon):3.93

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Descriptor Annotations

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