N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide

C20H21N3O2S — CID 166374396

IUPACN-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1cc(C)cc(-c2cc(NS(=O)(=O)c3ccc4c(c3)CCC4)n[nH]2)c1
InChIInChI=1S/C20H21N3O2S/c1-13-8-14(2)10-17(9-13)19-12-20(22-21-19)23-26(24,25)18-7-6-15-4-3-5-16(15)11-18/h6-12H,3-5H2,1-2H3,(H2,21,22,23)
InChIKeyUGZSYTZWNNNWKJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.98
Rot. Bonds4

About N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 166374396) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID166374396
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1cc(C)cc(-c2cc(NS(=O)(=O)c3ccc4c(c3)CCC4)n[nH]2)c1
InChIInChI=1S/C20H21N3O2S/c1-13-8-14(2)10-17(9-13)19-12-20(22-21-19)23-26(24,25)18-7-6-15-4-3-5-16(15)11-18/h6-12H,3-5H2,1-2H3,(H2,21,22,23)
InChIKeyUGZSYTZWNNNWKJ-UHFFFAOYSA-N
XLogP3.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110281087
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110281086
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 167774919
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
N-(1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 51698963
N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 154765958
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104818512
N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 119055169
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 22434350

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 166374396) is N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide is Cc1cc(C)cc(-c2cc(NS(=O)(=O)c3ccc4c(c3)CCC4)n[nH]2)c1.
What is the InChIKey of N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is UGZSYTZWNNNWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-8-14(2)10-17(9-13)19-12-20(22-21-19)23-26(24,25)18-7-6-15-4-3-5-16(15)11-18/h6-12H,3-5H2,1-2H3,(H2,21,22,23).
What are the key properties of N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 166374396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).