N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide

C24H26N2O4S — CID 100525119

IUPACN-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCCCCC3)ccc2c1
InChIInChI=1S/C24H26N2O4S/c1-30-20-12-10-19-17-21(13-11-18(19)16-20)31(28,29)25-23-9-5-4-8-22(23)24(27)26-14-6-2-3-7-15-26/h4-5,8-13,16-17,25H,2-3,6-7,14-15H2,1H3
InChIKeyRZKSFKKETAFAKD-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.67
Rot. Bonds5

About N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide

N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide (PubChem CID 100525119) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
PubChem CID100525119
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCCCCC3)ccc2c1
InChIInChI=1S/C24H26N2O4S/c1-30-20-12-10-19-17-21(13-11-18(19)16-20)31(28,29)25-23-9-5-4-8-22(23)24(27)26-14-6-2-3-7-15-26/h4-5,8-13,16-17,25H,2-3,6-7,14-15H2,1H3
InChIKeyRZKSFKKETAFAKD-UHFFFAOYSA-N
XLogP4.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
ethyl 4-[2-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 17311460
4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28633685
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
4-chloro-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 39556509
N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 92672793
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119484526
3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 55956313
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 55770978
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 38009918

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide (CID 100525119) is N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCCCCC3)ccc2c1.
What is the InChIKey of N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The InChIKey is RZKSFKKETAFAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-30-20-12-10-19-17-21(13-11-18(19)16-20)31(28,29)25-23-9-5-4-8-22(23)24(27)26-14-6-2-3-7-15-26/h4-5,8-13,16-17,25H,2-3,6-7,14-15H2,1H3.
What are the key properties of N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide has a molecular weight of 438.55 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide is sourced from PubChem (CID 100525119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).