2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide

C15H17Cl2N3O2S — CID 91819423

IUPAC2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2c3c(nn2C)CCC3)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O2S/c1-9-6-15(12(17)7-11(9)16)23(21,22)18-8-14-10-4-3-5-13(10)19-20(14)2/h6-7,18H,3-5,8H2,1-2H3
InChIKeyKCDZRQLEESLCFS-UHFFFAOYSA-N
MW374.29 g/mol
LogP3.00
Rot. Bonds4

About 2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide

2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 91819423) has the molecular formula C15H17Cl2N3O2S and a molecular weight of 374.29 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID91819423
Molecular FormulaC15H17Cl2N3O2S
Molecular Weight374.29 g/mol
Exact Mass373.04
IUPAC Name2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2c3c(nn2C)CCC3)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O2S/c1-9-6-15(12(17)7-11(9)16)23(21,22)18-8-14-10-4-3-5-13(10)19-20(14)2/h6-7,18H,3-5,8H2,1-2H3
InChIKeyKCDZRQLEESLCFS-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352947
2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 25041194
2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide
CID 166316508
2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide
CID 4585560
2,4-dichloro-5-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]phenol
CID 68715944
5-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 106033980
N-but-3-ynyl-2,4-dichloro-5-methylbenzenesulfonamide
CID 56765741
5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide
CID 91819365
2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide
CID 90498903
2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 138018134
2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide
CID 3731125
2,4,5-trichloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22209591

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide (CID 91819423) is 2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2c3c(nn2C)CCC3)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is KCDZRQLEESLCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2S/c1-9-6-15(12(17)7-11(9)16)23(21,22)18-8-14-10-4-3-5-13(10)19-20(14)2/h6-7,18H,3-5,8H2,1-2H3.
What are the key properties of 2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide?
2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 374.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91819423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).