N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide

C14H18N4O2S — CID 102806188

IUPACN-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCc1nn(C)cc1Nc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H18N4O2S/c1-10-13(9-18(2)16-10)15-12-5-3-4-6-14(12)21(19,20)17-11-7-8-11/h3-6,9,11,15,17H,7-8H2,1-2H3
InChIKeyCEVIJLKWXSRFQC-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.91
Rot. Bonds5

About N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide

N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide (PubChem CID 102806188) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
PubChem CID102806188
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCc1nn(C)cc1Nc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H18N4O2S/c1-10-13(9-18(2)16-10)15-12-5-3-4-6-14(12)21(19,20)17-11-7-8-11/h3-6,9,11,15,17H,7-8H2,1-2H3
InChIKeyCEVIJLKWXSRFQC-UHFFFAOYSA-N
XLogP1.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methylamino]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 155531889
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzenesulfonamide
CID 6499781
US9156811, Ddd71294
CID 57391848
N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 11567764
1-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 6465735

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide (CID 102806188) is N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide is Cc1nn(C)cc1Nc1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide?
The InChIKey is CEVIJLKWXSRFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-13(9-18(2)16-10)15-12-5-3-4-6-14(12)21(19,20)17-11-7-8-11/h3-6,9,11,15,17H,7-8H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide?
N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 102806188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).