4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide

C16H15ClN2O3S — CID 169029431

IUPAC4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CNS(=O)(=O)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H15ClN2O3S/c1-22-13-4-7-16-15(8-13)11(9-18-16)10-19-23(20,21)14-5-2-12(17)3-6-14/h2-9,18-19H,10H2,1H3
InChIKeyFOPAXIAHTZPEBJ-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.31
Rot. Bonds5

About 4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide

4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide (PubChem CID 169029431) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide
PubChem CID169029431
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CNS(=O)(=O)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H15ClN2O3S/c1-22-13-4-7-16-15(8-13)11(9-18-16)10-19-23(20,21)14-5-2-12(17)3-6-14/h2-9,18-19H,10H2,1H3
InChIKeyFOPAXIAHTZPEBJ-UHFFFAOYSA-N
XLogP3.31
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitrobenzenesulfonamide
CID 17271743
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 113085193
5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113083673
6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine
CID 53006760
N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 124907942
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide
CID 42646833
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
4-ethyl-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113085291
methyl 3-(5-methoxy-1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 134909144

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide (CID 169029431) is 4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide is COc1ccc2[nH]cc(CNS(=O)(=O)c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide?
The InChIKey is FOPAXIAHTZPEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-22-13-4-7-16-15(8-13)11(9-18-16)10-19-23(20,21)14-5-2-12(17)3-6-14/h2-9,18-19H,10H2,1H3.
What are the key properties of 4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide?
4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide has a molecular weight of 350.83 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 169029431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).