4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

C18H24N2O4S2 — CID 519130

IUPAC4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-15-5-9-17(10-6-15)25(21,22)19-13-3-4-14-20-26(23,24)18-11-7-16(2)8-12-18/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyVVPVPUGXHZXNRC-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.34
Rot. Bonds9

About 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide (PubChem CID 519130) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
PubChem CID519130
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H24N2O4S2/c1-15-5-9-17(10-6-15)25(21,22)19-13-3-4-14-20-26(23,24)18-11-7-16(2)8-12-18/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyVVPVPUGXHZXNRC-UHFFFAOYSA-N
XLogP2.34
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-Aminoethyl)benzenesulfonamide
CID 169682
N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-Methyl-p-toluenesulfonamide
CID 12543
N-Ethyl-p-toluenesulfonamide
CID 6637
N-Butyl-p-toluenesulfonamide
CID 61285
p-Toluenesulfonamide, N-benzyl-
CID 95801
N,N'-Ethylenebisbenzenesulfonamide
CID 72892
N-Ethyl-o-toluenesulfonamide
CID 14110
N-cyclopropyl-4-methylbenzene-1-sulfonamide
CID 4190095
4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 3731938
Benzenesulfonamide, 4-methyl-N-((4-methylphenyl)sulfonyl)-
CID 77279
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide (CID 519130) is 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide?
The InChIKey is VVPVPUGXHZXNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-15-5-9-17(10-6-15)25(21,22)19-13-3-4-14-20-26(23,24)18-11-7-16(2)8-12-18/h5-12,19-20H,3-4,13-14H2,1-2H3.
What are the key properties of 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide?
4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide is sourced from PubChem (CID 519130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).