N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide

C17H18ClN3O2S — CID 24740150

IUPACN-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2ccc(Cl)nc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C17H18ClN3O2S/c1-11(2)21-10-15(12-4-7-17(18)19-9-12)14-6-5-13(8-16(14)21)20-24(3,22)23/h4-11,20H,1-3H3
InChIKeyLTTSOXRCJUYCFF-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.31
Rot. Bonds4

About N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide

N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (PubChem CID 24740150) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
PubChem CID24740150
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCC(C)n1cc(-c2ccc(Cl)nc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C17H18ClN3O2S/c1-11(2)21-10-15(12-4-7-17(18)19-9-12)14-6-5-13(8-16(14)21)20-24(3,22)23/h4-11,20H,1-3H3
InChIKeyLTTSOXRCJUYCFF-UHFFFAOYSA-N
XLogP4.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 86628684
methyl 4-[6-(methanesulfonamido)-1-propan-2-ylindol-3-yl]benzoate
CID 67101095
N-[3-(4-nitrophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 67101226
N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide
CID 67101128
N-[3-(3-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 87269312
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-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide
CID 67101176
N-[3-(4-cyanophenyl)-1-(1-methoxypropan-2-yl)indol-6-yl]methanesulfonamide
CID 67101206
N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide
CID 57442256
N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779145
N-[3-(4-cyanophenyl)-1-propan-2-ylindol-6-yl]thiophene-2-sulfonamide
CID 67101302

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (CID 24740150) is N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is CC(C)n1cc(-c2ccc(Cl)nc2)c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The InChIKey is LTTSOXRCJUYCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-11(2)21-10-15(12-4-7-17(18)19-9-12)14-6-5-13(8-16(14)21)20-24(3,22)23/h4-11,20H,1-3H3.
What are the key properties of N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide has a molecular weight of 363.87 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-3-pyridinyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is sourced from PubChem (CID 24740150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).