N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide

C18H23N3O5S2 — CID 166348760

IUPACN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1ccccn1
InChIInChI=1S/C18H23N3O5S2/c1-26-17-10-9-15(28(24,25)21-12-6-2-3-7-13-21)14-16(17)20-27(22,23)18-8-4-5-11-19-18/h4-5,8-11,14,20H,2-3,6-7,12-13H2,1H3
InChIKeyJFSDZXAYXNGLOE-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.46
Rot. Bonds6

About N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide (PubChem CID 166348760) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide
PubChem CID166348760
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1ccccn1
InChIInChI=1S/C18H23N3O5S2/c1-26-17-10-9-15(28(24,25)21-12-6-2-3-7-13-21)14-16(17)20-27(22,23)18-8-4-5-11-19-18/h4-5,8-11,14,20H,2-3,6-7,12-13H2,1H3
InChIKeyJFSDZXAYXNGLOE-UHFFFAOYSA-N
XLogP2.46
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide
CID 166184500
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 28565941
3-bromo-4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46772852
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-ethylbenzenesulfonamide
CID 29099743
4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzenesulfonamide
CID 4968859
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6499996
4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 28569021
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55362628
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 100691399
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
CID 28579503
1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-phenylthiourea
CID 4270469
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55603851

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide?
The IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide (CID 166348760) is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1ccccn1.
What is the InChIKey of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide?
The InChIKey is JFSDZXAYXNGLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c1-26-17-10-9-15(28(24,25)21-12-6-2-3-7-13-21)14-16(17)20-27(22,23)18-8-4-5-11-19-18/h4-5,8-11,14,20H,2-3,6-7,12-13H2,1H3.
What are the key properties of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide?
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide has a molecular weight of 425.53 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 166348760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).