N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide

C12H11ClN4O2S — CID 102693806

IUPACN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide
SMILESNCC#Cc1ccc(Cl)c(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C12H11ClN4O2S/c13-10-4-3-9(2-1-6-14)8-11(10)17-20(18,19)12-5-7-15-16-12/h3-5,7-8,17H,6,14H2,(H,15,16)
InChIKeyOVMCHJGBPWDZOM-UHFFFAOYSA-N
MW310.77 g/mol
LogP1.17
Rot. Bonds3

About N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide

N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693806) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693806
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide
SMILESNCC#Cc1ccc(Cl)c(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C12H11ClN4O2S/c13-10-4-3-9(2-1-6-14)8-11(10)17-20(18,19)12-5-7-15-16-12/h3-5,7-8,17H,6,14H2,(H,15,16)
InChIKeyOVMCHJGBPWDZOM-UHFFFAOYSA-N
XLogP1.17
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide
CID 102693792
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102693801
4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692631
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1-methylsulfonylmethanesulfonamide
CID 82842179
4-(3-aminoprop-1-ynyl)-1-chloro-2-(diethylsulfamoylamino)benzene
CID 62907707
methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691733
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-sulfonamide
CID 102692511
N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide
CID 102692686
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 62913782
N-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102691501
methyl N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]carbamate
CID 62907703

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide (CID 102693806) is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide is NCC#Cc1ccc(Cl)c(NS(=O)(=O)c2ccn[nH]2)c1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is OVMCHJGBPWDZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c13-10-4-3-9(2-1-6-14)8-11(10)17-20(18,19)12-5-7-15-16-12/h3-5,7-8,17H,6,14H2,(H,15,16).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide?
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 310.77 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).