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

C11H14N4O2S — CID 54937351

IUPACN-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCC(N)c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C11H14N4O2S/c1-8(12)9-2-4-10(5-3-9)15-18(16,17)11-6-13-14-7-11/h2-8,15H,12H2,1H3,(H,13,14)
InChIKeySYCJMKWBTQGEGP-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.23
Rot. Bonds4

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

N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54937351) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID54937351
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCC(N)c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C11H14N4O2S/c1-8(12)9-2-4-10(5-3-9)15-18(16,17)11-6-13-14-7-11/h2-8,15H,12H2,1H3,(H,13,14)
InChIKeySYCJMKWBTQGEGP-UHFFFAOYSA-N
XLogP1.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936916
4-(1-aminoethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54982271
1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea
CID 47364024
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363914
4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588980
N-(6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 78945043
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-[4-(1H-imidazol-5-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61275741
4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532769
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 54937351) is N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide is CC(N)c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is SYCJMKWBTQGEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-8(12)9-2-4-10(5-3-9)15-18(16,17)11-6-13-14-7-11/h2-8,15H,12H2,1H3,(H,13,14).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide?
N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54937351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).