N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide

C23H23N3O2S — CID 57442256

IUPACN-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(-c3ccc(C#N)cc3)cn(C(C3CC3)C3CC3)c2c1
InChIInChI=1S/C23H23N3O2S/c1-29(27,28)25-19-10-11-20-21(16-4-2-15(13-24)3-5-16)14-26(22(20)12-19)23(17-6-7-17)18-8-9-18/h2-5,10-12,14,17-18,23,25H,6-9H2,1H3
InChIKeyWRVQNZJULPTSAV-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.91
Rot. Bonds6

About N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide

N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide (PubChem CID 57442256) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide
PubChem CID57442256
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(-c3ccc(C#N)cc3)cn(C(C3CC3)C3CC3)c2c1
InChIInChI=1S/C23H23N3O2S/c1-29(27,28)25-19-10-11-20-21(16-4-2-15(13-24)3-5-16)14-26(22(20)12-19)23(17-6-7-17)18-8-9-18/h2-5,10-12,14,17-18,23,25H,6-9H2,1H3
InChIKeyWRVQNZJULPTSAV-UHFFFAOYSA-N
XLogP4.91
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-cyanophenyl)-1-(1-methoxypropan-2-yl)indol-6-yl]methanesulfonamide
CID 67101206
N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide
CID 67101302
N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 86628684
N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 24739670
N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 67101494
N-[3-(4-cyano-2-fluorophenyl)-1-[(2R)-3-methylbutan-2-yl]indol-6-yl]methanesulfonamide
CID 67101141
methyl 4-[6-(methanesulfonamido)-1-propan-2-ylindol-3-yl]benzoate
CID 67101095
N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide
CID 67101128
N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 24740150
N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide
CID 67101176
N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide
CID 24739503
N-[3-(3-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 87269312

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide (CID 57442256) is N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(-c3ccc(C#N)cc3)cn(C(C3CC3)C3CC3)c2c1.
What is the InChIKey of N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide?
The InChIKey is WRVQNZJULPTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-29(27,28)25-19-10-11-20-21(16-4-2-15(13-24)3-5-16)14-26(22(20)12-19)23(17-6-7-17)18-8-9-18/h2-5,10-12,14,17-18,23,25H,6-9H2,1H3.
What are the key properties of N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide?
N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide is sourced from PubChem (CID 57442256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).