4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide

C12H18N2O3S2 — CID 79942009

IUPAC4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC1CSC(C)C1
InChIInChI=1S/C12H18N2O3S2/c1-8-5-9(7-18-8)14-11-6-10(19(13,15)16)3-4-12(11)17-2/h3-4,6,8-9,14H,5,7H2,1-2H3,(H2,13,15,16)
InChIKeyXGRMBQYXCYMNDU-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.65
Rot. Bonds4

About 4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide

4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide (PubChem CID 79942009) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
PubChem CID79942009
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC1CSC(C)C1
InChIInChI=1S/C12H18N2O3S2/c1-8-5-9(7-18-8)14-11-6-10(19(13,15)16)3-4-12(11)17-2/h3-4,6,8-9,14H,5,7H2,1-2H3,(H2,13,15,16)
InChIKeyXGRMBQYXCYMNDU-UHFFFAOYSA-N
XLogP1.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 64501520
N-(5-bromo-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79949843
N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941779
4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide
CID 65080223
3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide
CID 43743918
N-(2-methoxy-4-nitrophenyl)-5-methylthiolan-3-amine
CID 79942640
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229
2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79949483
trans-(1R,2R)-2-[(2-methoxy-5-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129365678
3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide
CID 64753179
CID 118692692
CID 118692692

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide (CID 79942009) is 4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1NC1CSC(C)C1.
What is the InChIKey of 4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
The InChIKey is XGRMBQYXCYMNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-8-5-9(7-18-8)14-11-6-10(19(13,15)16)3-4-12(11)17-2/h3-4,6,8-9,14H,5,7H2,1-2H3,(H2,13,15,16).
What are the key properties of 4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79942009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).