4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

C18H24N2O4S2 — CID 17416351

IUPAC4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C18H24N2O4S2/c1-14(2)20-25(21,22)13-17-7-5-4-6-16(17)12-19-26(23,24)18-10-8-15(3)9-11-18/h4-11,14,19-20H,12-13H2,1-3H3
InChIKeyKUSGQLICMWVLHR-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.30
Rot. Bonds8

About 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide

4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 17416351) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID17416351
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C18H24N2O4S2/c1-14(2)20-25(21,22)13-17-7-5-4-6-16(17)12-19-26(23,24)18-10-8-15(3)9-11-18/h4-11,14,19-20H,12-13H2,1-3H3
InChIKeyKUSGQLICMWVLHR-UHFFFAOYSA-N
XLogP2.30
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 119122181
5-chloro-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 34050535
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55460511
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 16575083
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2-[(4-methylphenyl)methylsulfanyl]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33452266
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
4-chloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 24556301
2-[4-(4-methylphenoxy)phenoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633534
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712
3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55461142
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide (CID 17416351) is 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is KUSGQLICMWVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-14(2)20-25(21,22)13-17-7-5-4-6-16(17)12-19-26(23,24)18-10-8-15(3)9-11-18/h4-11,14,19-20H,12-13H2,1-3H3.
What are the key properties of 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide?
4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 17416351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).