N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

C17H18ClN3O4S — CID 75398194

IUPACN-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(Cl)ccn2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H18ClN3O4S/c1-25-15-5-2-11(8-16(15)26(23,24)21-13-3-4-13)17(22)20-10-14-9-12(18)6-7-19-14/h2,5-9,13,21H,3-4,10H2,1H3,(H,20,22)
InChIKeyBMHMAGICNIPNIN-UHFFFAOYSA-N
MW395.87 g/mol
LogP2.11
Rot. Bonds7

About N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (PubChem CID 75398194) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
PubChem CID75398194
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(Cl)ccn2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H18ClN3O4S/c1-25-15-5-2-11(8-16(15)26(23,24)21-13-3-4-13)17(22)20-10-14-9-12(18)6-7-19-14/h2,5-9,13,21H,3-4,10H2,1H3,(H,20,22)
InChIKeyBMHMAGICNIPNIN-UHFFFAOYSA-N
XLogP2.11
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 46424901
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46475905
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 18116770
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (CID 75398194) is N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NCc2cc(Cl)ccn2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The InChIKey is BMHMAGICNIPNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c1-25-15-5-2-11(8-16(15)26(23,24)21-13-3-4-13)17(22)20-10-14-9-12(18)6-7-19-14/h2,5-9,13,21H,3-4,10H2,1H3,(H,20,22).
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide has a molecular weight of 395.87 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 75398194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).