N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide

C18H20N2O2S — CID 101158082

IUPACN-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-7-9-15(10-8-13)23(21,22)20-11-14(2)17-12-19-18-6-4-3-5-16(17)18/h3-10,12,14,19-20H,11H2,1-2H3/t14-/m0/s1
InChIKeyVUEJAFGPLQZUJE-AWEZNQCLSA-N
MW328.44 g/mol
LogP3.56
Rot. Bonds5

About N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide

N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide (PubChem CID 101158082) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
PubChem CID101158082
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-7-9-15(10-8-13)23(21,22)20-11-14(2)17-12-19-18-6-4-3-5-16(17)18/h3-10,12,14,19-20H,11H2,1-2H3/t14-/m0/s1
InChIKeyVUEJAFGPLQZUJE-AWEZNQCLSA-N
XLogP3.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 42994892
N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
CID 11428257
N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide
CID 110293010
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 43001237
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 41090894
4-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 40818667
1H-indol-3-yl 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 4227873
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 55435875
N-benzyl-2-(1H-indol-3-yl)propan-1-amine
CID 132526366
methyl (E)-3-[2-[(S)-1H-indol-3-yl-[(4-methylphenyl)sulfonylamino]methyl]phenyl]prop-2-enoate
CID 102595982
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
2-(1H-indol-3-yl)propan-1-amine
CID 6452095

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide (CID 101158082) is N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H](C)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is VUEJAFGPLQZUJE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-7-9-15(10-8-13)23(21,22)20-11-14(2)17-12-19-18-6-4-3-5-16(17)18/h3-10,12,14,19-20H,11H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide?
N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101158082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).