Chemical ID: 6697412

CC[NH+]1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
Chemical ID:
6697412
Name [?]:
N-[(1-ethyl-2,3,4,5-tetrahydropyrrol-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide
SMILES [?]:
CC[NH+]1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
InChi [?]:
InChI=1/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,19,2,5,6,15,16,4,13,8,7,14,12,17,10,23,9,3,11,21,22,18,20/E:(20,21)/CRV:23.6/rA:23cCCN+CCCCCNCOCCCCCCOCSOON/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s14;d20;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N3O4S+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:-20.7154
Area:540.836
Solvation:-34.2363
Coulombic:-12.6726
Bond Count [?]
All:24
Single:18
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:342.435
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:0.62
LogP (Chemaxon):-0.39

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue