N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide

C12H21AsN2O2S — CID 174776208

IUPACN-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide
SMILESCN(CC[As](C)C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C12H21AsN2O2S/c1-13(2)8-9-15(3)12-7-5-6-11(10-12)14-18(4,16)17/h5-7,10,14H,8-9H2,1-4H3
InChIKeyYCSZUOXEOVYYHM-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.25
Rot. Bonds6

About N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide

N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide (PubChem CID 174776208) has the molecular formula C12H21AsN2O2S and a molecular weight of 332.30 g/mol. Its IUPAC name is N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide
PubChem CID174776208
Molecular FormulaC12H21AsN2O2S
Molecular Weight332.30 g/mol
Exact Mass332.05
IUPAC NameN-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide
SMILESCN(CC[As](C)C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C12H21AsN2O2S/c1-13(2)8-9-15(3)12-7-5-6-11(10-12)14-18(4,16)17/h5-7,10,14H,8-9H2,1-4H3
InChIKeyYCSZUOXEOVYYHM-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride
CID 90656676
2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate
CID 21455561
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
CID 56579091
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide
CID 168636645
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
lithium 3-(methanesulfonamido)benzenesulfonate
CID 58858821
2-amino-2-[3-(methanesulfonamido)phenyl]acetamide
CID 13127822
N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 90862263
N-[3-(methanesulfonamido)phenyl]formamide
CID 54434866
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CID 31470074

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide (CID 174776208) is N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide is CN(CC[As](C)C)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide?
The InChIKey is YCSZUOXEOVYYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21AsN2O2S/c1-13(2)8-9-15(3)12-7-5-6-11(10-12)14-18(4,16)17/h5-7,10,14H,8-9H2,1-4H3.
What are the key properties of N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide?
N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide has a molecular weight of 332.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 174776208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).