3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

C14H20N4O2S — CID 43107586

IUPAC3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)Nc2ccnn2C(C)C)c1
InChIInChI=1S/C14H20N4O2S/c1-10(2)18-14(7-8-16-18)17-21(19,20)13-6-4-5-12(9-13)11(3)15/h4-11,17H,15H2,1-3H3
InChIKeyCXBVWTVQDFBAQR-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.28
Rot. Bonds5

About 3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 43107586) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID43107586
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)Nc2ccnn2C(C)C)c1
InChIInChI=1S/C14H20N4O2S/c1-10(2)18-14(7-8-16-18)17-21(19,20)13-6-4-5-12(9-13)11(3)15/h4-11,17H,15H2,1-3H3
InChIKeyCXBVWTVQDFBAQR-UHFFFAOYSA-N
XLogP2.28
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208
3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 43094459
4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 24708299
N-(2-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940814
3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107595189
5-chloro-6-hydrazinyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-sulfonamide
CID 64607395
2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43258247
2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43258241
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480691
5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 43149865
3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 65437568

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (CID 43107586) is 3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is CC(N)c1cccc(S(=O)(=O)Nc2ccnn2C(C)C)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is CXBVWTVQDFBAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10(2)18-14(7-8-16-18)17-21(19,20)13-6-4-5-12(9-13)11(3)15/h4-11,17H,15H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 43107586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).