N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide

C12H20AsNO3S — CID 173166355

IUPACN-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide
SMILESCC(C)[AsH]CC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H20AsNO3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
InChIKeySBUVKZKJBLYZLW-UHFFFAOYSA-N
MW333.29 g/mol
LogP1.77
Rot. Bonds6

About N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide

N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide (PubChem CID 173166355) has the molecular formula C12H20AsNO3S and a molecular weight of 333.29 g/mol. Its IUPAC name is N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide
PubChem CID173166355
Molecular FormulaC12H20AsNO3S
Molecular Weight333.29 g/mol
Exact Mass333.04
IUPAC NameN-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide
SMILESCC(C)[AsH]CC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H20AsNO3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
InChIKeySBUVKZKJBLYZLW-UHFFFAOYSA-N
XLogP1.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide
CID 10685624
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N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
CID 24377
2-hydroxy-2-[4-(methanesulfonamido)phenyl]acetamide
CID 57197585
N-[4-[4-(1-butylazepan-1-ium-1-yl)-1-hydroxybutyl]phenyl]methanesulfonamide
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CID 14891458
N-[4-[4-(1-butylazepan-1-ium-1-yl)-1-hydroxybutyl]phenyl]methanesulfonamide bromide
CID 70410686
N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide
CID 3082653
[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea
CID 142686883
N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide
CID 107441669
N-[4-[(1S)-4-[7,7-difluoroheptyl(ethyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 10812091
N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride
CID 139672928

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide (CID 173166355) is N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide is CC(C)[AsH]CC(O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide?
The InChIKey is SBUVKZKJBLYZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20AsNO3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3.
What are the key properties of N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide?
N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide has a molecular weight of 333.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 173166355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).