N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide

C18H16ClN3O3S — CID 110166691

IUPACN-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H16ClN3O3S/c1-13-16(19)7-3-8-17(13)26(24,25)21-18(23)15-6-2-5-14(11-15)12-22-10-4-9-20-22/h2-11H,12H2,1H3,(H,21,23)
InChIKeyMTTVSESXBUQOIF-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.01
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide

N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 110166691) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID110166691
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H16ClN3O3S/c1-13-16(19)7-3-8-17(13)26(24,25)21-18(23)15-6-2-5-14(11-15)12-22-10-4-9-20-22/h2-11H,12H2,1H3,(H,21,23)
InChIKeyMTTVSESXBUQOIF-UHFFFAOYSA-N
XLogP3.01
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166764
N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
CID 110166689
N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide
CID 155988731
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19405320
2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide
CID 110166706
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19398768
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19337316
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 141063851
N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70748260
N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110166697
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide (CID 110166691) is N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide is Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is MTTVSESXBUQOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-13-16(19)7-3-8-17(13)26(24,25)21-18(23)15-6-2-5-14(11-15)12-22-10-4-9-20-22/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide?
N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 389.86 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 110166691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).