4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide

C15H22N4O2S — CID 131930276

IUPAC4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide
SMILESCc1cc(C)n(CC(C)NCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H22N4O2S/c1-11-8-13(3)19(18-11)10-12(2)17-9-14-4-6-15(7-5-14)22(16,20)21/h4-8,12,17H,9-10H2,1-3H3,(H2,16,20,21)
InChIKeyQYCHWPINAJCXMJ-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.33
Rot. Bonds6

About 4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide

4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide (PubChem CID 131930276) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide
PubChem CID131930276
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide
SMILESCc1cc(C)n(CC(C)NCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H22N4O2S/c1-11-8-13(3)19(18-11)10-12(2)17-9-14-4-6-15(7-5-14)22(16,20)21/h4-8,12,17H,9-10H2,1-3H3,(H2,16,20,21)
InChIKeyQYCHWPINAJCXMJ-UHFFFAOYSA-N
XLogP1.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide
CID 95209232
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 97227229
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 95205420
4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide
CID 102867736
1-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 50958138
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
CID 95201478
N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 134711922
4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
CID 43192891
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 55913500
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 47011067
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 95213205
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111280831

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide (CID 131930276) is 4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide is Cc1cc(C)n(CC(C)NCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide?
The InChIKey is QYCHWPINAJCXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-8-13(3)19(18-11)10-12(2)17-9-14-4-6-15(7-5-14)22(16,20)21/h4-8,12,17H,9-10H2,1-3H3,(H2,16,20,21).
What are the key properties of 4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide?
4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 131930276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).