N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide

C18H23N3O5S2 — CID 166184500

IUPACN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C18H23N3O5S2/c1-26-18-9-8-15(28(24,25)21-11-4-2-3-5-12-21)13-17(18)20-27(22,23)16-7-6-10-19-14-16/h6-10,13-14,20H,2-5,11-12H2,1H3
InChIKeyDLPAGYYPIXQPCW-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.46
Rot. Bonds6

About N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide (PubChem CID 166184500) 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-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide
PubChem CID166184500
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C18H23N3O5S2/c1-26-18-9-8-15(28(24,25)21-11-4-2-3-5-12-21)13-17(18)20-27(22,23)16-7-6-10-19-14-16/h6-10,13-14,20H,2-5,11-12H2,1H3
InChIKeyDLPAGYYPIXQPCW-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-2-sulfonamide
CID 166348760
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
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
CID 26591861
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
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55671038
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 100691399
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
CID 28579503

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide (CID 166184500) is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide?
The InChIKey is DLPAGYYPIXQPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c1-26-18-9-8-15(28(24,25)21-11-4-2-3-5-12-21)13-17(18)20-27(22,23)16-7-6-10-19-14-16/h6-10,13-14,20H,2-5,11-12H2,1H3.
What are the key properties of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide?
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-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-3-sulfonamide is sourced from PubChem (CID 166184500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).