3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide

C18H14ClN3O3S — CID 118156227

IUPAC3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2cc(=O)[nH]c3c2[nH]c2ccc(Cl)cc23)c1
InChIInChI=1S/C18H14ClN3O3S/c1-20-26(24,25)12-4-2-3-10(7-12)13-9-16(23)22-18-14-8-11(19)5-6-15(14)21-17(13)18/h2-9,20-21H,1H3,(H,22,23)
InChIKeyFVPCAUJKXXACPI-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.24
Rot. Bonds3

About 3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide

3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide (PubChem CID 118156227) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is 3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide
PubChem CID118156227
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2cc(=O)[nH]c3c2[nH]c2ccc(Cl)cc23)c1
InChIInChI=1S/C18H14ClN3O3S/c1-20-26(24,25)12-4-2-3-10(7-12)13-9-16(23)22-18-14-8-11(19)5-6-15(14)21-17(13)18/h2-9,20-21H,1H3,(H,22,23)
InChIKeyFVPCAUJKXXACPI-UHFFFAOYSA-N
XLogP3.24
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide with MolForge

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Related Compounds

8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 123416407
3-[(6-chloro-9H-pyrimido[4,5-b]indol-4-yl)amino]-N-methylbenzenesulfonamide
CID 52912194
6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one
CID 22279011
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 34687096
8-fluoro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118156102
N-methyl-3-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 162420970
2-[3-(tert-butylsulfamoyl)phenyl]-4-chlorobenzoic acid
CID 53229013
N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)benzenesulfonamide
CID 10501747
1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide
CID 162220092
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 177401984
6-chloro-4-methoxy-1H-quinolin-2-one
CID 67443391

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide (CID 118156227) is 3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(-c2cc(=O)[nH]c3c2[nH]c2ccc(Cl)cc23)c1.
What is the InChIKey of 3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide?
The InChIKey is FVPCAUJKXXACPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c1-20-26(24,25)12-4-2-3-10(7-12)13-9-16(23)22-18-14-8-11(19)5-6-15(14)21-17(13)18/h2-9,20-21H,1H3,(H,22,23).
What are the key properties of 3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide?
3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide has a molecular weight of 387.85 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 118156227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).