1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide

C17H17ClN2O2S — CID 110604340

IUPAC1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)Cc3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C17H17ClN2O2S/c1-12-8-15-9-14(4-7-17(15)20-12)10-19-23(21,22)11-13-2-5-16(18)6-3-13/h2-9,19-20H,10-11H2,1H3
InChIKeyPXGRYPFKXATDEZ-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide (PubChem CID 110604340) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide
PubChem CID110604340
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)Cc3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C17H17ClN2O2S/c1-12-8-15-9-14(4-7-17(15)20-12)10-19-23(21,22)11-13-2-5-16(18)6-3-13/h2-9,19-20H,10-11H2,1H3
InChIKeyPXGRYPFKXATDEZ-UHFFFAOYSA-N
XLogP3.75
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110427813
2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide
CID 110618898
4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide
CID 110427789
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842
2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096662
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
5-chloro-2-methyl-1H-indole;ethane
CID 143548586
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110666149
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 110714894
N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110427837

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide (CID 110604340) is 1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide is Cc1cc2cc(CNS(=O)(=O)Cc3ccc(Cl)cc3)ccc2[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide?
The InChIKey is PXGRYPFKXATDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-12-8-15-9-14(4-7-17(15)20-12)10-19-23(21,22)11-13-2-5-16(18)6-3-13/h2-9,19-20H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide has a molecular weight of 348.86 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110604340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).