N-(2-aminophenyl)-N-methylmethanesulfonamide

C8H12N2O2S — CID 13314626

IUPACN-(2-aminophenyl)-N-methylmethanesulfonamide
SMILESCN(c1ccccc1N)S(C)(=O)=O
InChIInChI=1S/C8H12N2O2S/c1-10(13(2,11)12)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
InChIKeyYPMKIXADVWKELK-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.66
Rot. Bonds2

About N-(2-aminophenyl)-N-methylmethanesulfonamide

N-(2-aminophenyl)-N-methylmethanesulfonamide (PubChem CID 13314626) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-methylmethanesulfonamide
PubChem CID13314626
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(2-aminophenyl)-N-methylmethanesulfonamide
SMILESCN(c1ccccc1N)S(C)(=O)=O
InChIInChI=1S/C8H12N2O2S/c1-10(13(2,11)12)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
InChIKeyYPMKIXADVWKELK-UHFFFAOYSA-N
XLogP0.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sodium anilinomethanesulfonate
CID 23680200
N-methyl-N-phenylmethanesulfonamide
CID 733944
1,2-Benzenediamine, N1,N1-dimethyl-
CID 76083
1,2-Bis(methanesulfonamido)benzene
CID 227307
N1-propylbenzene-1,2-diamine
CID 4962638
1-(Phenylamino)methanesulfonic acid
CID 66894
N1,N1,N2-trimethylbenzene-1,2-diamine
CID 533455
N-Methyl-o-phenylenediamine
CID 78498
1-(2-Fluorophenyl)-4-(methylsulfonyl)piperazine
CID 831830
N-[4-(dimethylamino)phenyl]sulfamide
CID 44380951
2-Phenyl-1,2,5-thiadiazolidine-1,1-dione
CID 55250817
N,N-diethylphenylenediamine
CID 437497

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-methylmethanesulfonamide (CID 13314626) is N-(2-aminophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-methylmethanesulfonamide is CN(c1ccccc1N)S(C)(=O)=O.
What is the InChIKey of N-(2-aminophenyl)-N-methylmethanesulfonamide?
The InChIKey is YPMKIXADVWKELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-10(13(2,11)12)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N-methylmethanesulfonamide?
N-(2-aminophenyl)-N-methylmethanesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 13314626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).