4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide

C20H19N3O2S — CID 165064656

IUPAC4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide
SMILESCc1ccc2c(c1)ncc1cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C20H19N3O2S/c1-13-3-8-18-19(9-13)22-11-16-10-14(2)23(20(16)18)12-15-4-6-17(7-5-15)26(21,24)25/h3-11H,12H2,1-2H3,(H2,21,24,25)
InChIKeyNFPQYVFSUYWTPJ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.50
Rot. Bonds3

About 4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide

4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide (PubChem CID 165064656) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide
PubChem CID165064656
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide
SMILESCc1ccc2c(c1)ncc1cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C20H19N3O2S/c1-13-3-8-18-19(9-13)22-11-16-10-14(2)23(20(16)18)12-15-4-6-17(7-5-15)26(21,24)25/h3-11H,12H2,1-2H3,(H2,21,24,25)
InChIKeyNFPQYVFSUYWTPJ-UHFFFAOYSA-N
XLogP3.50
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
CID 164987207
2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid
CID 7131107
4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide
CID 164972295
4-[(2,6-dimethyl-7-phenylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
CID 172554904
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline
CID 165035279
4-[4,7-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzenesulfonamide
CID 16626073
methane;4-methylbenzenesulfonamide
CID 66673954
bis(4-methylbenzenesulfonamide);selane
CID 173300479
4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide
CID 25025229
4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide
CID 165011558
4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide
CID 82562546

Frequently Asked Questions

What is the IUPAC name of 4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide (CID 165064656) is 4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide is Cc1ccc2c(c1)ncc1cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c12.
What is the InChIKey of 4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide?
The InChIKey is NFPQYVFSUYWTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13-3-8-18-19(9-13)22-11-16-10-14(2)23(20(16)18)12-15-4-6-17(7-5-15)26(21,24)25/h3-11H,12H2,1-2H3,(H2,21,24,25).
What are the key properties of 4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide?
4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 165064656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).