N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C17H20N4O3S — CID 112506067

IUPACN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C17H20N4O3S/c1-10-16(11(2)19-18-10)25(23,24)20-14-5-6-15-13(9-14)7-8-21(15)17(22)12-3-4-12/h5-6,9,12,20H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyDUOMOPBWLODGQG-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.13
Rot. Bonds4

About N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 112506067) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID112506067
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C17H20N4O3S/c1-10-16(11(2)19-18-10)25(23,24)20-14-5-6-15-13(9-14)7-8-21(15)17(22)12-3-4-12/h5-6,9,12,20H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyDUOMOPBWLODGQG-UHFFFAOYSA-N
XLogP2.13
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,4,5-trimethylbenzenesulfonamide
CID 7498812
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388536
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzenesulfonamide
CID 7498808
3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 63901960
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide
CID 110303737
N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853215
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 42388555
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621715
N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853260
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-5-nitrobenzenesulfonamide
CID 7498834

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 112506067) is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)C1CC1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DUOMOPBWLODGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-10-16(11(2)19-18-10)25(23,24)20-14-5-6-15-13(9-14)7-8-21(15)17(22)12-3-4-12/h5-6,9,12,20H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112506067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).