6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide

C16H13ClN4O3S — CID 135201440

IUPAC6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide
SMILESCOc1cc(CC#N)cnc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H13ClN4O3S/c1-24-14-6-10(4-5-18)8-20-16(14)21-25(22,23)15-9-19-13-7-11(17)2-3-12(13)15/h2-3,6-9,19H,4H2,1H3,(H,20,21)
InChIKeyYFDNWISNLYAACT-UHFFFAOYSA-N
MW376.83 g/mol
LogP3.09
Rot. Bonds5

About 6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide

6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide (PubChem CID 135201440) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is 6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide
PubChem CID135201440
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC Name6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide
SMILESCOc1cc(CC#N)cnc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H13ClN4O3S/c1-24-14-6-10(4-5-18)8-20-16(14)21-25(22,23)15-9-19-13-7-11(17)2-3-12(13)15/h2-3,6-9,19H,4H2,1H3,(H,20,21)
InChIKeyYFDNWISNLYAACT-UHFFFAOYSA-N
XLogP3.09
TPSA107.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-4-methoxypyrimidin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 169225707
6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907990
6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide
CID 167940139
6-chloro-N-[5-(3-fluoropropoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164908450
6-chloro-N-[5-(2,2-difluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 169225639
6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710664
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 175471124
N-[5-bromo-4-(1,1-difluoroethyl)-6-methoxypyrimidin-2-yl]-6-chloro-1H-indole-3-sulfonamide
CID 164908387
6-chloro-N-(4-ethyl-6-methoxy-5-methylpyrimidin-2-yl)-1H-indole-3-sulfonamide
CID 164907841
6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide
CID 167746508
N-(5-bromopyrazin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 150603744

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide (CID 135201440) is 6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide is COc1cc(CC#N)cnc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide?
The InChIKey is YFDNWISNLYAACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c1-24-14-6-10(4-5-18)8-20-16(14)21-25(22,23)15-9-19-13-7-11(17)2-3-12(13)15/h2-3,6-9,19H,4H2,1H3,(H,20,21).
What are the key properties of 6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide?
6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide has a molecular weight of 376.83 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 135201440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).