N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide

C20H21ClN2O2S — CID 58731292

IUPACN-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide
SMILESC[C@@](c1ccc(Cl)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1
InChIInChI=1S/C20H21ClN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m1/s1
InChIKeyJDADMHQCJBMVIG-HXUWFJFHSA-N
MW388.92 g/mol
LogP4.91
Rot. Bonds5

About N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide

N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide (PubChem CID 58731292) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide
PubChem CID58731292
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC NameN-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide
SMILESC[C@@](c1ccc(Cl)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1
InChIInChI=1S/C20H21ClN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m1/s1
InChIKeyJDADMHQCJBMVIG-HXUWFJFHSA-N
XLogP4.91
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indisulam
CID 216468
n-(1h-Indol-7-yl)methanesulfonamide
CID 20231824
(S)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethyl)-1H-indol-7-yl)methanesulfonamide
CID 24749808
N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
CID 53320087
(R)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1H-indol-7-yl)methanesulfonamide
CID 24749678
(R)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethyl)-1H-indol-7-yl)methanesulfonamide
CID 24749684
N-(3-Chloro-1H-indol-7-yl)-4-sulfinamoyl-benzenesulfonamide
CID 44392389
(S)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1H-indol-7-yl)methanesulfonamide
CID 44433504
N-(1-(3-(4-chlorophenyl)pentan-3-yl)-1H-indol-4-yl)methanesulfonamide
CID 70561849
N-(3-chloro-1H-indol-7-yl)pyridine-3-sulfonamide
CID 44306479
N-(3-chloro-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
CID 44306485
N-[3-(3-chlorophenyl)-1H-indol-7-yl]methanesulfonamide
CID 122186747

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide (CID 58731292) is N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide is C[C@@](c1ccc(Cl)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1.
What is the InChIKey of N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide?
The InChIKey is JDADMHQCJBMVIG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m1/s1.
What are the key properties of N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide?
N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide has a molecular weight of 388.92 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-(4-chlorophenyl)-1-cyclopropylethyl]-1H-indol-7-yl]methanesulfonamide is sourced from PubChem (CID 58731292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).