N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide

C18H21ClN2O4S — CID 109059069

IUPACN-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-12(2)20-18(22)13-5-8-15(9-6-13)26(23,24)21-14-7-10-17(25-3)16(19)11-14/h5-12,21H,4H2,1-3H3,(H,20,22)
InChIKeyBXXHEBAWWBKKDO-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.68
Rot. Bonds7

About N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide

N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 109059069) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID109059069
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-12(2)20-18(22)13-5-8-15(9-6-13)26(23,24)21-14-7-10-17(25-3)16(19)11-14/h5-12,21H,4H2,1-3H3,(H,20,22)
InChIKeyBXXHEBAWWBKKDO-UHFFFAOYSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide
CID 89323080
N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059198
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554170

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide (CID 109059069) is N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide is CCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is BXXHEBAWWBKKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-4-12(2)20-18(22)13-5-8-15(9-6-13)26(23,24)21-14-7-10-17(25-3)16(19)11-14/h5-12,21H,4H2,1-3H3,(H,20,22).
What are the key properties of N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide?
N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109059069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).