N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide

C17H20N2O4S2 — CID 113093650

IUPACN-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2N(C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O4S2/c1-13-6-5-7-15(12-13)25(22,23)18-16-8-3-4-9-17(16)19(14-10-11-14)24(2,20)21/h3-9,12,14,18H,10-11H2,1-2H3
InChIKeyKWEDDCRANMGVCX-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.72
Rot. Bonds6

About N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide

N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide (PubChem CID 113093650) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide
PubChem CID113093650
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2N(C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O4S2/c1-13-6-5-7-15(12-13)25(22,23)18-16-8-3-4-9-17(16)19(14-10-11-14)24(2,20)21/h3-9,12,14,18H,10-11H2,1-2H3
InChIKeyKWEDDCRANMGVCX-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-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113093646
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]acetamide
CID 113093569
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113065190
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]-3-methylbenzenesulfonamide
CID 113094765
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3,4-dimethylbenzamide
CID 113093595
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide (CID 113093650) is N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccccc2N(C2CC2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide?
The InChIKey is KWEDDCRANMGVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-13-6-5-7-15(12-13)25(22,23)18-16-8-3-4-9-17(16)19(14-10-11-14)24(2,20)21/h3-9,12,14,18H,10-11H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide?
N-[2-[cyclopropyl(methylsulfonyl)amino]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-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113093650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).