4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide

C19H26N2O4S2 — CID 73054079

IUPAC4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H26N2O4S2/c1-14-5-9-18(10-6-14)26(22,23)20-16(3)13-17(4)21-27(24,25)19-11-7-15(2)8-12-19/h5-12,16-17,20-21H,13H2,1-4H3/t16-,17-/m1/s1
InChIKeyXLJIEAHHHSPNQV-IAGOWNOFSA-N
MW410.56 g/mol
LogP2.73
Rot. Bonds8

About 4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide

4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide (PubChem CID 73054079) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
PubChem CID73054079
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC Name4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H26N2O4S2/c1-14-5-9-18(10-6-14)26(22,23)20-16(3)13-17(4)21-27(24,25)19-11-7-15(2)8-12-19/h5-12,16-17,20-21H,13H2,1-4H3/t16-,17-/m1/s1
InChIKeyXLJIEAHHHSPNQV-IAGOWNOFSA-N
XLogP2.73
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650
4-methyl-N-[(2S)-pent-4-yn-2-yl]benzenesulfonamide
CID 86604885
N-(5-bromopentan-2-yl)-4-methylbenzenesulfonamide
CID 114294982
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
3-[(4-methylphenyl)sulfonylamino]butylcarbamic acid
CID 139490787
4-N-(4-methylpentan-2-yl)benzene-1,4-disulfonamide
CID 43372522
N-[(2S,4R)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 15418147
N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 15418146
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide (CID 73054079) is 4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide?
The InChIKey is XLJIEAHHHSPNQV-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-14-5-9-18(10-6-14)26(22,23)20-16(3)13-17(4)21-27(24,25)19-11-7-15(2)8-12-19/h5-12,16-17,20-21H,13H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of 4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide?
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide has a molecular weight of 410.56 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 73054079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).