N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H14N4O2S — CID 110867609

IUPACN-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc2cc[nH]c12
InChIInChI=1S/C13H14N4O2S/c1-8-13(9(2)16-15-8)20(18,19)17-11-5-3-4-10-6-7-14-12(10)11/h3-7,14,17H,1-2H3,(H,15,16)
InChIKeyKESOSDSDAHYQAY-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.31
Rot. Bonds3

About N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110867609) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110867609
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc2cc[nH]c12
InChIInChI=1S/C13H14N4O2S/c1-8-13(9(2)16-15-8)20(18,19)17-11-5-3-4-10-6-7-14-12(10)11/h3-7,14,17H,1-2H3,(H,15,16)
InChIKeyKESOSDSDAHYQAY-UHFFFAOYSA-N
XLogP2.31
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 81497421
N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 47267980
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
N-(2-ethylsulfanylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60934151
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972945
N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 110867586
6-chloro-N-(1H-indol-7-yl)pyridine-3-sulfonamide
CID 19080167
3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113021784
N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62084614
N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777753
4-(1H-indol-7-ylsulfamoyl)benzoic acid
CID 22228599
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 110867609) is N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc2cc[nH]c12.
What is the InChIKey of N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is KESOSDSDAHYQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8-13(9(2)16-15-8)20(18,19)17-11-5-3-4-10-6-7-14-12(10)11/h3-7,14,17H,1-2H3,(H,15,16).
What are the key properties of N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110867609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).