N-[4-(butylamino)-2-methylphenyl]methanesulfonamide

C12H20N2O2S — CID 43741283

IUPACN-[4-(butylamino)-2-methylphenyl]methanesulfonamide
SMILESCCCCNc1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-4-5-8-13-11-6-7-12(10(2)9-11)14-17(3,15)16/h6-7,9,13-14H,4-5,8H2,1-3H3
InChIKeyUFSMZCZQCRSVMY-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.58
Rot. Bonds6

About N-[4-(butylamino)-2-methylphenyl]methanesulfonamide

N-[4-(butylamino)-2-methylphenyl]methanesulfonamide (PubChem CID 43741283) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[4-(butylamino)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(butylamino)-2-methylphenyl]methanesulfonamide
PubChem CID43741283
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[4-(butylamino)-2-methylphenyl]methanesulfonamide
SMILESCCCCNc1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-4-5-8-13-11-6-7-12(10(2)9-11)14-17(3,15)16/h6-7,9,13-14H,4-5,8H2,1-3H3
InChIKeyUFSMZCZQCRSVMY-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(tert-butylamino)ethylamino]-2-methylphenyl]methanesulfonamide
CID 107445229
N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide
CID 63953895
1-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]methanesulfonamide
CID 55246411
N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide
CID 66415349
2-methyl-5-(pentylamino)benzenesulfonamide
CID 28653503
N-heptyl-3,4-dimethylaniline
CID 43129292
N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43741273
2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
CID 79813982
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide
CID 106633520
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 62835077

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-(butylamino)-2-methylphenyl]methanesulfonamide (CID 43741283) is N-[4-(butylamino)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(butylamino)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-(butylamino)-2-methylphenyl]methanesulfonamide is CCCCNc1ccc(NS(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[4-(butylamino)-2-methylphenyl]methanesulfonamide?
The InChIKey is UFSMZCZQCRSVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-5-8-13-11-6-7-12(10(2)9-11)14-17(3,15)16/h6-7,9,13-14H,4-5,8H2,1-3H3.
What are the key properties of N-[4-(butylamino)-2-methylphenyl]methanesulfonamide?
N-[4-(butylamino)-2-methylphenyl]methanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 43741283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).