3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide

C15H18N2O2S2 — CID 43341153

IUPAC3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide
SMILESCc1ccc(Sc2ccc(S(=O)(=O)N(C)C)cc2N)cc1
InChIInChI=1S/C15H18N2O2S2/c1-11-4-6-12(7-5-11)20-15-9-8-13(10-14(15)16)21(18,19)17(2)3/h4-10H,16H2,1-3H3
InChIKeyICGJOFHPPFAQKJ-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.98
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide

3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide (PubChem CID 43341153) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide
PubChem CID43341153
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide
SMILESCc1ccc(Sc2ccc(S(=O)(=O)N(C)C)cc2N)cc1
InChIInChI=1S/C15H18N2O2S2/c1-11-4-6-12(7-5-11)20-15-9-8-13(10-14(15)16)21(18,19)17(2)3/h4-10H,16H2,1-3H3
InChIKeyICGJOFHPPFAQKJ-UHFFFAOYSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)sulfanyl-5-methylsulfonylaniline
CID 43448247
ethyl 2-[2-amino-4-(dimethylsulfamoyl)phenyl]sulfanylacetate
CID 43618245
2-(3-methylphenyl)sulfanyl-5-methylsulfonylaniline
CID 61244889
2-(4-tert-butylphenyl)sulfanyl-5-methylaniline
CID 43349635
4-amino-3-tert-butylsulfanyl-N,N-dimethylbenzenesulfonamide
CID 82900902
2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
CID 43545447
4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 3024163
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
CID 28795747
4-amino-3-(4-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbenzenesulfonamide
CID 82901550
3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide
CID 43341117
5-methyl-3-(4-methylphenyl)sulfanylbenzene-1,2-diamine
CID 142454166
3-amino-4-[bis(cyanomethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 43162677

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide (CID 43341153) is 3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide is Cc1ccc(Sc2ccc(S(=O)(=O)N(C)C)cc2N)cc1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide?
The InChIKey is ICGJOFHPPFAQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-11-4-6-12(7-5-11)20-15-9-8-13(10-14(15)16)21(18,19)17(2)3/h4-10H,16H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide?
3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide has a molecular weight of 322.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(4-methylphenyl)sulfanylbenzenesulfonamide is sourced from PubChem (CID 43341153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).