N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide

C18H22FN3O3S — CID 155431543

IUPACN-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)c(N)c2)c1
InChIInChI=1S/C18H22FN3O3S/c1-4-12(3)22-26(24,25)14-7-5-11(2)15(10-14)18(23)21-13-6-8-16(19)17(20)9-13/h5-10,12,22H,4,20H2,1-3H3,(H,21,23)/t12-/m0/s1
InChIKeyAJSHQMXIVCROJB-LBPRGKRZSA-N
MW379.46 g/mol
LogP3.05
Rot. Bonds6

About N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide

N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide (PubChem CID 155431543) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide
PubChem CID155431543
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)c(N)c2)c1
InChIInChI=1S/C18H22FN3O3S/c1-4-12(3)22-26(24,25)14-7-5-11(2)15(10-14)18(23)21-13-6-8-16(19)17(20)9-13/h5-10,12,22H,4,20H2,1-3H3,(H,21,23)/t12-/m0/s1
InChIKeyAJSHQMXIVCROJB-LBPRGKRZSA-N
XLogP3.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 90259140
3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
CID 118684025
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
CID 40575887
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 25038796
ethyl 2-[(3-amino-4-fluorophenyl)sulfonylamino]propanoate
CID 61498116
N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119420171
2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 76902815
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
(2R)-2-[[3-[(3,4-difluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylamino]propanoic acid
CID 76901469
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide (CID 155431543) is N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide is CC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide?
The InChIKey is AJSHQMXIVCROJB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-4-12(3)22-26(24,25)14-7-5-11(2)15(10-14)18(23)21-13-6-8-16(19)17(20)9-13/h5-10,12,22H,4,20H2,1-3H3,(H,21,23)/t12-/m0/s1.
What are the key properties of N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide?
N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide has a molecular weight of 379.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 155431543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).