N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide

C21H27N3O4S — CID 55505510

IUPACN-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C21H27N3O4S/c1-15(2)22-20-10-6-7-13-24(20)21(25)16-11-12-18(28-3)19(14-16)29(26,27)23-17-8-4-5-9-17/h6-7,10-15,17,23H,4-5,8-9H2,1-3H3/b22-20+
InChIKeyFLMGGAWMRAAYBF-LSDHQDQOSA-N
MW417.53 g/mol
LogP2.72
Rot. Bonds6

About N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide

N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide (PubChem CID 55505510) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
PubChem CID55505510
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C21H27N3O4S/c1-15(2)22-20-10-6-7-13-24(20)21(25)16-11-12-18(28-3)19(14-16)29(26,27)23-17-8-4-5-9-17/h6-7,10-15,17,23H,4-5,8-9H2,1-3H3/b22-20+
InChIKeyFLMGGAWMRAAYBF-LSDHQDQOSA-N
XLogP2.72
TPSA89.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 18286787
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
CID 26102322
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 17439024
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55392531
N-cyclopentyl-5-(2,3-dimethylpiperazine-1-carbonyl)-2-methoxybenzenesulfonamide
CID 120572231
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride
CID 119519103
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide (CID 55505510) is N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide is COc1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The InChIKey is FLMGGAWMRAAYBF-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15(2)22-20-10-6-7-13-24(20)21(25)16-11-12-18(28-3)19(14-16)29(26,27)23-17-8-4-5-9-17/h6-7,10-15,17,23H,4-5,8-9H2,1-3H3/b22-20+.
What are the key properties of N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55505510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).