N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide

C13H17ClN4O2S — CID 115762749

IUPACN-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
SMILESCCn1nccc1CNc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C13H17ClN4O2S/c1-3-18-11(6-7-16-18)9-15-10-4-5-13(12(14)8-10)17-21(2,19)20/h4-8,15,17H,3,9H2,1-2H3
InChIKeyGFCWGMMBWZCITH-UHFFFAOYSA-N
MW328.83 g/mol
LogP2.54
Rot. Bonds6

About N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide

N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 115762749) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
PubChem CID115762749
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC NameN-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
SMILESCCn1nccc1CNc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C13H17ClN4O2S/c1-3-18-11(6-7-16-18)9-15-10-4-5-13(12(14)8-10)17-21(2,19)20/h4-8,15,17H,3,9H2,1-2H3
InChIKeyGFCWGMMBWZCITH-UHFFFAOYSA-N
XLogP2.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
CID 114555179
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
N-[2-chloro-4-[(5-ethylfuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 62346171
N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide
CID 115761962
N-[2-chloro-4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 60981950
N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide
CID 43744735
N-[2-chloro-4-(thiophen-2-ylmethylamino)phenyl]methanesulfonamide
CID 43744756
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[(2-ethylpyrazol-3-yl)methyl]-2-methyl-5-methylsulfonylaniline
CID 114555098
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline
CID 115762717
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
CID 115777063
N-[2-chloro-4-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
CID 106675322

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide (CID 115762749) is N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide is CCn1nccc1CNc1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is GFCWGMMBWZCITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c1-3-18-11(6-7-16-18)9-15-10-4-5-13(12(14)8-10)17-21(2,19)20/h4-8,15,17H,3,9H2,1-2H3.
What are the key properties of N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide?
N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 328.83 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 115762749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).