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

C17H20N2O4S2 — CID 113094754

IUPACN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccc(NS(C)(=O)=O)cc2)C2CC2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-13-3-11-17(12-4-13)25(22,23)19(16-9-10-16)15-7-5-14(6-8-15)18-24(2,20)21/h3-8,11-12,16,18H,9-10H2,1-2H3
InChIKeyKSWOGHGFMRUUPE-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.72
Rot. Bonds6

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

N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide (PubChem CID 113094754) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
PubChem CID113094754
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccc(NS(C)(=O)=O)cc2)C2CC2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-13-3-11-17(12-4-13)25(22,23)19(16-9-10-16)15-7-5-14(6-8-15)18-24(2,20)21/h3-8,11-12,16,18H,9-10H2,1-2H3
InChIKeyKSWOGHGFMRUUPE-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide (CID 113094754) is N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccc(NS(C)(=O)=O)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KSWOGHGFMRUUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-13-3-11-17(12-4-13)25(22,23)19(16-9-10-16)15-7-5-14(6-8-15)18-24(2,20)21/h3-8,11-12,16,18H,9-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide?
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-4-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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113094754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).