3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide

C17H15ClN4O2S — CID 177453725

IUPAC3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1Nc1ncccn1
InChIInChI=1S/C17H15ClN4O2S/c1-12-5-2-8-15(16(12)21-17-19-9-4-10-20-17)22-25(23,24)14-7-3-6-13(18)11-14/h2-11,22H,1H3,(H,19,20,21)
InChIKeyOGJMVKJOJQOMAN-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.98
Rot. Bonds5

About 3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide

3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide (PubChem CID 177453725) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
PubChem CID177453725
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1Nc1ncccn1
InChIInChI=1S/C17H15ClN4O2S/c1-12-5-2-8-15(16(12)21-17-19-9-4-10-20-17)22-25(23,24)14-7-3-6-13(18)11-14/h2-11,22H,1H3,(H,19,20,21)
InChIKeyOGJMVKJOJQOMAN-UHFFFAOYSA-N
XLogP3.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046629
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide
CID 1355590
N-[2-(aminomethyl)phenyl]-3-chlorobenzenesulfonamide
CID 64897005
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65488884

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide (CID 177453725) is 3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1Nc1ncccn1.
What is the InChIKey of 3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide?
The InChIKey is OGJMVKJOJQOMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-12-5-2-8-15(16(12)21-17-19-9-4-10-20-17)22-25(23,24)14-7-3-6-13(18)11-14/h2-11,22H,1H3,(H,19,20,21).
What are the key properties of 3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide?
3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide has a molecular weight of 374.85 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 177453725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).