N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide

C17H21NO4S2 — CID 15423591

IUPACN-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)CC(CNS(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO4S2/c1-14-8-10-17(11-9-14)24(21,22)13-16(12-18-23(2,19)20)15-6-4-3-5-7-15/h3-11,16,18H,12-13H2,1-2H3
InChIKeyIHTHOWRAGQGCFS-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.10
Rot. Bonds7

About N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide

N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide (PubChem CID 15423591) has the molecular formula C17H21NO4S2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide
PubChem CID15423591
Molecular FormulaC17H21NO4S2
Molecular Weight367.49 g/mol
Exact Mass367.09
IUPAC NameN-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)CC(CNS(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO4S2/c1-14-8-10-17(11-9-14)24(21,22)13-16(12-18-23(2,19)20)15-6-4-3-5-7-15/h3-11,16,18H,12-13H2,1-2H3
InChIKeyIHTHOWRAGQGCFS-UHFFFAOYSA-N
XLogP2.10
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide
CID 15423595
ethyl 4-[1-(methanesulfonamido)-3-(4-methylphenyl)sulfonylpropan-2-yl]benzoate
CID 15423598
N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide
CID 132595527
(1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine
CID 167596335
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
2,4,6-trimethyl-N-[2-(2-methylphenyl)-3-(4-methylphenyl)sulfonylpropyl]benzenesulfonamide
CID 15423601
1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine
CID 892041
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
4-(methanesulfonamido)-3-phenylbutanimidamide
CID 154705595
1-methyl-4-(3-phenylhex-5-enylsulfonyl)benzene
CID 158844988
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
CID 7268396

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide?
The IUPAC name of N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide (CID 15423591) is N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide is Cc1ccc(S(=O)(=O)CC(CNS(C)(=O)=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide?
The InChIKey is IHTHOWRAGQGCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S2/c1-14-8-10-17(11-9-14)24(21,22)13-16(12-18-23(2,19)20)15-6-4-3-5-7-15/h3-11,16,18H,12-13H2,1-2H3.
What are the key properties of N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide?
N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide has a molecular weight of 367.49 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide is sourced from PubChem (CID 15423591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).