4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C12H16N4O2S — CID 55042991

IUPAC4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C12H16N4O2S/c1-2-13-11-3-5-12(6-4-11)19(17,18)16-9-10-7-14-15-8-10/h3-8,13,16H,2,9H2,1H3,(H,14,15)
InChIKeyUCEBHRHTMZVNGP-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.32
Rot. Bonds6

About 4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 55042991) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID55042991
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C12H16N4O2S/c1-2-13-11-3-5-12(6-4-11)19(17,18)16-9-10-7-14-15-8-10/h3-8,13,16H,2,9H2,1H3,(H,14,15)
InChIKeyUCEBHRHTMZVNGP-UHFFFAOYSA-N
XLogP1.32
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895795
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765
4-(1-aminoethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54982271
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
2-[4-(1H-pyrazol-4-ylmethylsulfamoyl)phenoxy]acetic acid
CID 60999310
4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62157363
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
3-(aminomethyl)-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106015927
4-(ethylaminomethyl)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016137
2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide
CID 61003075
5-ethyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-sulfonamide
CID 54947112

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 55042991) is 4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1.
What is the InChIKey of 4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is UCEBHRHTMZVNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-13-11-3-5-12(6-4-11)19(17,18)16-9-10-7-14-15-8-10/h3-8,13,16H,2,9H2,1H3,(H,14,15).
What are the key properties of 4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55042991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).