N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide

C17H20N2O4S2 — CID 113094765

IUPACN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(c2ccc(NS(C)(=O)=O)cc2)C2CC2)c1
InChIInChI=1S/C17H20N2O4S2/c1-13-4-3-5-17(12-13)25(22,23)19(16-10-11-16)15-8-6-14(7-9-15)18-24(2,20)21/h3-9,12,16,18H,10-11H2,1-2H3
InChIKeyBCSBIPKXSQDVPV-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.72
Rot. Bonds6

About N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide

N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide (PubChem CID 113094765) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide
PubChem CID113094765
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(c2ccc(NS(C)(=O)=O)cc2)C2CC2)c1
InChIInChI=1S/C17H20N2O4S2/c1-13-4-3-5-17(12-13)25(22,23)19(16-10-11-16)15-8-6-14(7-9-15)18-24(2,20)21/h3-9,12,16,18H,10-11H2,1-2H3
InChIKeyBCSBIPKXSQDVPV-UHFFFAOYSA-N
XLogP2.72
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 113094753
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 113094754
N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 113094755
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide
CID 113094750
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42853466
3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055270
3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46055277
3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094332
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide
CID 113093650
N-(4-fluorophenyl)-3-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055379
N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 110873099
N-[4-[cyclopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113095149

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide (CID 113094765) is N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(c2ccc(NS(C)(=O)=O)cc2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is BCSBIPKXSQDVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-13-4-3-5-17(12-13)25(22,23)19(16-10-11-16)15-8-6-14(7-9-15)18-24(2,20)21/h3-9,12,16,18H,10-11H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide?
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113094765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).