[4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol

C12H20N2O3S — CID 107232078

IUPAC[4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol
SMILESCC(C)CNS(=O)(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C12H20N2O3S/c1-10(2)7-13-18(16,17)14-8-11-3-5-12(9-15)6-4-11/h3-6,10,13-15H,7-9H2,1-2H3
InChIKeyMFBVAJGRKULMGI-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.76
Rot. Bonds7

About [4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol

[4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol (PubChem CID 107232078) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is [4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol
PubChem CID107232078
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name[4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol
SMILESCC(C)CNS(=O)(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C12H20N2O3S/c1-10(2)7-13-18(16,17)14-8-11-3-5-12(9-15)6-4-11/h3-6,10,13-15H,7-9H2,1-2H3
InChIKeyMFBVAJGRKULMGI-UHFFFAOYSA-N
XLogP0.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol
CID 115969766
2-methyl-3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815684
[2-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815630
3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232758
3-[5-[(2-methylpropylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 114816459
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815587
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
CID 107232747
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107229581
[3-[(2-methoxyethylsulfamoylamino)methyl]phenyl]methanol
CID 114815669

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol (CID 107232078) is [4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol is CC(C)CNS(=O)(=O)NCc1ccc(CO)cc1.
What is the InChIKey of [4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol?
The InChIKey is MFBVAJGRKULMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(2)7-13-18(16,17)14-8-11-3-5-12(9-15)6-4-11/h3-6,10,13-15H,7-9H2,1-2H3.
What are the key properties of [4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol?
[4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol has a molecular weight of 272.37 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107232078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).