N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

C11H13ClN4O2S — CID 106060777

IUPACN-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN4O2S/c1-13-6-8-7-14-15-11(8)19(17,18)16-10-4-2-9(12)3-5-10/h2-5,7,13,16H,6H2,1H3,(H,14,15)
InChIKeyXUIPHUSZSQYMBG-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.58
Rot. Bonds5

About N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106060777) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106060777
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC NameN-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN4O2S/c1-13-6-8-7-14-15-11(8)19(17,18)16-10-4-2-9(12)3-5-10/h2-5,7,13,16H,6H2,1H3,(H,14,15)
InChIKeyXUIPHUSZSQYMBG-UHFFFAOYSA-N
XLogP1.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106030354
4-(methylaminomethyl)-N-(6-methyl-3-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106073192
4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
CID 106088621
N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058544
N-(4-bromo-3,5-dimethylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087341
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106056684
N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106073945
N-(3-fluoro-4-pyridinyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106090077
N-(3,5-dichlorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058989
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087034
4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106018839

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106060777) is N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is XUIPHUSZSQYMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-13-6-8-7-14-15-11(8)19(17,18)16-10-4-2-9(12)3-5-10/h2-5,7,13,16H,6H2,1H3,(H,14,15).
What are the key properties of N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106060777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).