2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide

C13H22N2O2S — CID 43203342

IUPAC2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide
SMILESCc1ccc(NC(C)CC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-9(2)7-11(4)15-12-6-5-10(3)13(8-12)18(14,16)17/h5-6,8-9,11,15H,7H2,1-4H3,(H2,14,16,17)
InChIKeyICDMMBPUOFSHBF-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.49
Rot. Bonds5

About 2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide

2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide (PubChem CID 43203342) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide
PubChem CID43203342
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide
SMILESCc1ccc(NC(C)CC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-9(2)7-11(4)15-12-6-5-10(3)13(8-12)18(14,16)17/h5-6,8-9,11,15H,7H2,1-4H3,(H2,14,16,17)
InChIKeyICDMMBPUOFSHBF-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline
CID 43098407
2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 43101041
5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide
CID 43105910
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
4-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 106750392
2-methyl-5-(pentylamino)benzenesulfonamide
CID 28653503
3-methyl-4-[2-[2-methyl-4-(4-methylpentan-2-ylamino)phenoxy]ethoxy]-N-(4-methylpentan-2-yl)aniline
CID 70605236
2-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]benzenesulfonamide
CID 66129478
4-N-(4-methylpentan-2-yl)-1-N-[10-[4-(4-methylpentan-2-ylamino)anilino]decyl]benzene-1,4-diamine
CID 126713435
4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
CID 10981440
2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 79466776
3-amino-4-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43372059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide (CID 43203342) is 2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide is Cc1ccc(NC(C)CC(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide?
The InChIKey is ICDMMBPUOFSHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)7-11(4)15-12-6-5-10(3)13(8-12)18(14,16)17/h5-6,8-9,11,15H,7H2,1-4H3,(H2,14,16,17).
What are the key properties of 2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide?
2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43203342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).