1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene

C12H20N2O3S — CID 54898316

IUPAC1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene
SMILESCCCCN(C)S(=O)(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H20N2O3S/c1-3-4-8-14(2)18(16,17)13-12-7-5-6-11(9-12)10-15/h5-7,9,13,15H,3-4,8,10H2,1-2H3
InChIKeyYNFKMFMSYILVHZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.57
Rot. Bonds7

About 1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene

1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene (PubChem CID 54898316) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene.

Molecular Properties

Compound Name1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene
PubChem CID54898316
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene
SMILESCCCCN(C)S(=O)(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H20N2O3S/c1-3-4-8-14(2)18(16,17)13-12-7-5-6-11(9-12)10-15/h5-7,9,13,15H,3-4,8,10H2,1-2H3
InChIKeyYNFKMFMSYILVHZ-UHFFFAOYSA-N
XLogP1.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
CID 61058722
2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid
CID 115296004
N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide
CID 61456490
7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline
CID 63899504
2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
CID 43712124
3-[[2-carboxyethyl(methyl)sulfamoyl]amino]benzoic acid
CID 84760738
2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid
CID 62535155
2-chloro-N-[3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 107651406
2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
CID 114134965
2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
CID 107339728
1-(aminomethyl)-3-(diethylsulfamoylamino)benzene
CID 28783219
1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114132444

Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene?
The IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene (CID 54898316) is 1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene.
What is the SMILES notation for 1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene?
The canonical SMILES for 1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene is CCCCN(C)S(=O)(=O)Nc1cccc(CO)c1.
What is the InChIKey of 1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene?
The InChIKey is YNFKMFMSYILVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-4-8-14(2)18(16,17)13-12-7-5-6-11(9-12)10-15/h5-7,9,13,15H,3-4,8,10H2,1-2H3.
What are the key properties of 1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene?
1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene has a molecular weight of 272.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene is sourced from PubChem (CID 54898316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).