3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide

C10H15N3O4S — CID 107213320

IUPAC3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C10H15N3O4S/c1-6(14)5-13-18(16,17)9-3-2-7(10(12)15)4-8(9)11/h2-4,6,13-14H,5,11H2,1H3,(H2,12,15)/t6-/m1/s1
InChIKeyVKHFVOFVXNASNU-ZCFIWIBFSA-N
MW273.31 g/mol
LogP-0.97
Rot. Bonds5

About 3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide

3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide (PubChem CID 107213320) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
PubChem CID107213320
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C10H15N3O4S/c1-6(14)5-13-18(16,17)9-3-2-7(10(12)15)4-8(9)11/h2-4,6,13-14H,5,11H2,1H3,(H2,12,15)/t6-/m1/s1
InChIKeyVKHFVOFVXNASNU-ZCFIWIBFSA-N
XLogP-0.97
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzamide
CID 81471363
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
CID 81470893
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
3-amino-4-(2-methoxypropylsulfamoyl)benzoic acid
CID 102694397
3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
CID 81466871
3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide
CID 106347953
3-amino-4-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 113303512
methyl 3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoate
CID 63983735
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 81465783

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide (CID 107213320) is 3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide is C[C@@H](O)CNS(=O)(=O)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide?
The InChIKey is VKHFVOFVXNASNU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-6(14)5-13-18(16,17)9-3-2-7(10(12)15)4-8(9)11/h2-4,6,13-14H,5,11H2,1H3,(H2,12,15)/t6-/m1/s1.
What are the key properties of 3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide?
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of -0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide is sourced from PubChem (CID 107213320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).