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

C18H24N2O4S3 — CID 67599725

IUPACN-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCSc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H24N2O4S3/c1-15-5-11-18(12-6-15)27(23,24)19-13-3-4-14-25-17-9-7-16(8-10-17)20-26(2,21)22/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyKTDFNBDZADLIGL-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.22
Rot. Bonds10

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

N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide (PubChem CID 67599725) has the molecular formula C18H24N2O4S3 and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide
PubChem CID67599725
Molecular FormulaC18H24N2O4S3
Molecular Weight428.60 g/mol
Exact Mass428.09
IUPAC NameN-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCSc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H24N2O4S3/c1-15-5-11-18(12-6-15)27(23,24)19-13-3-4-14-25-17-9-7-16(8-10-17)20-26(2,21)22/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyKTDFNBDZADLIGL-UHFFFAOYSA-N
XLogP3.22
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
CID 55904601
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide
CID 15599388
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
3-fluoro-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzenesulfonamide
CID 39632696
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
4-methoxy-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
CID 2198100
4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
CID 100928656

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide (CID 67599725) is N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCCSc2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide?
The InChIKey is KTDFNBDZADLIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S3/c1-15-5-11-18(12-6-15)27(23,24)19-13-3-4-14-25-17-9-7-16(8-10-17)20-26(2,21)22/h5-12,19-20H,3-4,13-14H2,1-2H3.
What are the key properties of N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide?
N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide has a molecular weight of 428.60 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 67599725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).