N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide

C10H12N4O2S — CID 54936916

IUPACN-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESNCc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C10H12N4O2S/c11-5-8-1-3-9(4-2-8)14-17(15,16)10-6-12-13-7-10/h1-4,6-7,14H,5,11H2,(H,12,13)
InChIKeyIEFAIZAKOIXFPE-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.67
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide

N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54936916) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID54936916
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESNCc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C10H12N4O2S/c11-5-8-1-3-9(4-2-8)14-17(15,16)10-6-12-13-7-10/h1-4,6-7,14H,5,11H2,(H,12,13)
InChIKeyIEFAIZAKOIXFPE-UHFFFAOYSA-N
XLogP0.67
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54937351
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54937492
N-(6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 78945043
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea
CID 47364024
N-[4-(1H-imidazol-5-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61275741
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274374
N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
CID 61275750
3-(1H-pyrazol-4-ylsulfonylamino)benzenecarbothioamide
CID 54937180

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 54936916) is N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide is NCc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is IEFAIZAKOIXFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c11-5-8-1-3-9(4-2-8)14-17(15,16)10-6-12-13-7-10/h1-4,6-7,14H,5,11H2,(H,12,13).
What are the key properties of N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 252.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54936916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).