1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide

C17H16N4O3S2 — CID 71806587

IUPAC1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cn1
InChIInChI=1S/C17H16N4O3S2/c1-20-11-14(10-18-20)26(23,24)19-13-5-4-12-6-7-21(15(12)9-13)17(22)16-3-2-8-25-16/h2-5,8-11,19H,6-7H2,1H3
InChIKeyWCZAMXHZDHQDIM-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.49
Rot. Bonds4

About 1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide

1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide (PubChem CID 71806587) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide
PubChem CID71806587
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cn1
InChIInChI=1S/C17H16N4O3S2/c1-20-11-14(10-18-20)26(23,24)19-13-5-4-12-6-7-21(15(12)9-13)17(22)16-3-2-8-25-16/h2-5,8-11,19H,6-7H2,1H3
InChIKeyWCZAMXHZDHQDIM-UHFFFAOYSA-N
XLogP2.49
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-phenyl-N-(1-(thiophene-2-carbonyl)indolin-6-yl)-1H-pyrazole-4-carboxamide
CID 49751199
1-methyl-N-(2-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 71806667
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55592481
3-pyrrolidin-1-ylsulfonyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide
CID 56122873
N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 56304926
2-(5-{[(4-methylphenyl)thio]acetyl}thien-2-yl)-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-6-yl]acetamide
CID 11432356
4-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-1,2-thiazole-5-carboxamide
CID 89732916
3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide
CID 142133826
4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(5-methylthiophen-2-yl)sulfonylamino]benzamide
CID 166888178
N-(2-methylindazol-6-yl)thiophene-2-carboxamide
CID 861789
N-[2-(1-methylpyrazol-4-yl)phenyl]thiophene-2-carboxamide
CID 3958137
2-[[2-[4-(2,3-Dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 16233556

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide (CID 71806587) is 1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cn1.
What is the InChIKey of 1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide?
The InChIKey is WCZAMXHZDHQDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-20-11-14(10-18-20)26(23,24)19-13-5-4-12-6-7-21(15(12)9-13)17(22)16-3-2-8-25-16/h2-5,8-11,19H,6-7H2,1H3.
What are the key properties of 1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide?
1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide has a molecular weight of 388.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71806587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).