N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide

C22H25N3O5S2 — CID 167755588

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2cccnc12
InChIInChI=1S/C22H25N3O5S2/c1-30-20-12-13-21(19-7-6-14-23-22(19)20)31(26,27)24-17-8-10-18(11-9-17)32(28,29)25-15-4-2-3-5-16-25/h6-14,24H,2-5,15-16H2,1H3
InChIKeyHVNCBPZKHFOBIY-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.61
Rot. Bonds6

About N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide (PubChem CID 167755588) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide
PubChem CID167755588
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2cccnc12
InChIInChI=1S/C22H25N3O5S2/c1-30-20-12-13-21(19-7-6-14-23-22(19)20)31(26,27)24-17-8-10-18(11-9-17)32(28,29)25-15-4-2-3-5-16-25/h6-14,24H,2-5,15-16H2,1H3
InChIKeyHVNCBPZKHFOBIY-UHFFFAOYSA-N
XLogP3.61
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100506208
8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide
CID 166187188
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 100512130
8-fluoro-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 31914288
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46763903
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide
CID 166348760
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 19684568
8-methoxyquinoline-5-sulfonyl fluoride
CID 165461293
1-[1-(8-methoxyquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 154864069
2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid
CID 99988195
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide
CID 166184500

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide (CID 167755588) is N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2cccnc12.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide?
The InChIKey is HVNCBPZKHFOBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-30-20-12-13-21(19-7-6-14-23-22(19)20)31(26,27)24-17-8-10-18(11-9-17)32(28,29)25-15-4-2-3-5-16-25/h6-14,24H,2-5,15-16H2,1H3.
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide has a molecular weight of 475.59 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide is sourced from PubChem (CID 167755588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).