3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide

C16H16ClN3O3S — CID 11646301

IUPAC3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide
SMILESCCn1[nH]c(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc21
InChIInChI=1S/C16H16ClN3O3S/c1-3-20-14-8-7-11(9-12(14)16(21)18-20)19-24(22,23)15-6-4-5-13(17)10(15)2/h4-9,19H,3H2,1-2H3,(H,18,21)
InChIKeyQSIACPCRSCMPPC-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.11
Rot. Bonds4

About 3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide

3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 11646301) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID11646301
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide
SMILESCCn1[nH]c(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc21
InChIInChI=1S/C16H16ClN3O3S/c1-3-20-14-8-7-11(9-12(14)16(21)18-20)19-24(22,23)15-6-4-5-13(17)10(15)2/h4-9,19H,3H2,1-2H3,(H,18,21)
InChIKeyQSIACPCRSCMPPC-UHFFFAOYSA-N
XLogP3.11
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
CID 11545651
3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide
CID 68832098
2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
CID 11517216
3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701
3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide
CID 142674275
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
3-chloro-2-methyl-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 59018209
2,3-dichloro-N-[1-[(3,4-difluorophenyl)methyl]-3-oxo-2H-indazol-5-yl]-6-methylbenzenesulfonamide
CID 68838533
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide (CID 11646301) is 3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide is CCn1[nH]c(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc21.
What is the InChIKey of 3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is QSIACPCRSCMPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-3-20-14-8-7-11(9-12(14)16(21)18-20)19-24(22,23)15-6-4-5-13(17)10(15)2/h4-9,19H,3H2,1-2H3,(H,18,21).
What are the key properties of 3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide?
3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 365.84 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 11646301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).