N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride

C14H21ClN4O4S2 — CID 158434444

IUPACN-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride
SMILESCS(=O)(=O)Cl.CS(=O)(=O)Nc1ccccc1N.Nc1ccccc1N
InChIInChI=1S/C7H10N2O2S.C6H8N2.CH3ClO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8;7-5-3-1-2-4-6(5)8;1-5(2,3)4/h2-5,9H,8H2,1H3;1-4H,7-8H2;1H3
InChIKeyHCAZEHHFNVRNRL-UHFFFAOYSA-N
MW408.93 g/mol
LogP1.68
Rot. Bonds2

About N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride

N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride (PubChem CID 158434444) has the molecular formula C14H21ClN4O4S2 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride.

Molecular Properties

Compound NameN-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride
PubChem CID158434444
Molecular FormulaC14H21ClN4O4S2
Molecular Weight408.93 g/mol
Exact Mass408.07
IUPAC NameN-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride
SMILESCS(=O)(=O)Cl.CS(=O)(=O)Nc1ccccc1N.Nc1ccccc1N
InChIInChI=1S/C7H10N2O2S.C6H8N2.CH3ClO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8;7-5-3-1-2-4-6(5)8;1-5(2,3)4/h2-5,9H,8H2,1H3;1-4H,7-8H2;1H3
InChIKeyHCAZEHHFNVRNRL-UHFFFAOYSA-N
XLogP1.68
TPSA158.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43605598
1-amino-2-(diethylsulfamoylamino)benzene
CID 28783371
2-N-(3-methylsulfonylpropyl)benzene-1,2-diamine
CID 18334911
bis(2-N-methylbenzene-1,2-diamine);sulfuric acid
CID 157216525
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933
sodium;hydride;N-(2-methylphenyl)methanesulfonamide
CID 173445438
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
naphthalen-1-amine;N-naphthalen-1-ylmethanesulfonamide;octane-1-sulfonyl chloride
CID 162176486
N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 43069384
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide
CID 139789292
2-[(2-aminophenyl)sulfamoyl]propanoic acid
CID 61457996

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride?
The IUPAC name of N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride (CID 158434444) is N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride.
What is the SMILES notation for N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride?
The canonical SMILES for N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride is CS(=O)(=O)Cl.CS(=O)(=O)Nc1ccccc1N.Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride?
The InChIKey is HCAZEHHFNVRNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.C6H8N2.CH3ClO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8;7-5-3-1-2-4-6(5)8;1-5(2,3)4/h2-5,9H,8H2,1H3;1-4H,7-8H2;1H3.
What are the key properties of N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride?
N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride has a molecular weight of 408.93 g/mol, XLogP of 1.68, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)methanesulfonamide;benzene-1,2-diamine;methanesulfonyl chloride is sourced from PubChem (CID 158434444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).