1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide

C11H13ClN4O2S — CID 106061816

IUPAC1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C11H13ClN4O2S/c12-10-3-1-2-4-11(10)15-19(17,18)9-7-14-16(8-9)6-5-13/h1-4,7-8,15H,5-6,13H2
InChIKeyCOCRXKNHOIDCEU-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.30
Rot. Bonds5

About 1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide (PubChem CID 106061816) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
PubChem CID106061816
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C11H13ClN4O2S/c12-10-3-1-2-4-11(10)15-19(17,18)9-7-14-16(8-9)6-5-13/h1-4,7-8,15H,5-6,13H2
InChIKeyCOCRXKNHOIDCEU-UHFFFAOYSA-N
XLogP1.30
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(3-bromo-2-methylphenyl)pyrazole-4-sulfonamide
CID 106088124
1-(2-aminoethyl)-N-(2-bromo-3-methylphenyl)pyrazole-4-sulfonamide
CID 106073844
1-(2-aminoethyl)-N-(3-chlorophenyl)pyrazole-4-sulfonamide
CID 106060399
1-(2-aminoethyl)-N-(5-chloro-2-methoxyphenyl)pyrazole-4-sulfonamide
CID 106059592
1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 114138925
1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
CID 106060565
1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
CID 106087019
1-(2-aminoethyl)-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086842
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide
CID 106059548

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide (CID 106061816) is 1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide is NCCn1cc(S(=O)(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide?
The InChIKey is COCRXKNHOIDCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c12-10-3-1-2-4-11(10)15-19(17,18)9-7-14-16(8-9)6-5-13/h1-4,7-8,15H,5-6,13H2.
What are the key properties of 1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106061816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).