3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide

C14H21ClN2O3S — CID 34827308

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H21ClN2O3S/c1-5-8-16-13(18)10-6-7-11(15)12(9-10)21(19,20)17-14(2,3)4/h6-7,9,17H,5,8H2,1-4H3,(H,16,18)
InChIKeyPZJFYKBATBQHPI-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.56
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide

3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide (PubChem CID 34827308) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
PubChem CID34827308
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H21ClN2O3S/c1-5-8-16-13(18)10-6-7-11(15)12(9-10)21(19,20)17-14(2,3)4/h6-7,9,17H,5,8H2,1-4H3,(H,16,18)
InChIKeyPZJFYKBATBQHPI-UHFFFAOYSA-N
XLogP2.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 35425596
3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 78856600
3-(tert-butylsulfamoyl)-4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043611
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide
CID 70702635
N-tert-butyl-2-chloro-5-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
CID 30255802
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177
3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
CID 30878670
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 38207231
ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate
CID 55726615
N-butyl-2-chloro-5-propanoylbenzenesulfonamide
CID 39431604

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide (CID 34827308) is 3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide?
The InChIKey is PZJFYKBATBQHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-5-8-16-13(18)10-6-7-11(15)12(9-10)21(19,20)17-14(2,3)4/h6-7,9,17H,5,8H2,1-4H3,(H,16,18).
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide has a molecular weight of 332.85 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide is sourced from PubChem (CID 34827308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).