N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide

C14H12ClNO4S — CID 95969443

IUPACN-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide
SMILESCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO4S/c1-16(11-4-7-13-14(8-11)20-9-19-13)21(17,18)12-5-2-10(15)3-6-12/h2-8H,9H2,1H3
InChIKeyBLIVIUORVNOERM-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.89
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide

N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide (PubChem CID 95969443) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide
PubChem CID95969443
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide
SMILESCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO4S/c1-16(11-4-7-13-14(8-11)20-9-19-13)21(17,18)12-5-2-10(15)3-6-12/h2-8H,9H2,1H3
InChIKeyBLIVIUORVNOERM-UHFFFAOYSA-N
XLogP2.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide
CID 110752759
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 110752869
N-(1,3-benzodioxol-5-yl)-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46022171
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetate
CID 2340547
N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzenesulfonamide
CID 825686
N-(1,3-benzodioxol-5-yl)-N,2,4-trimethylbenzenesulfonamide
CID 110752738
N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide
CID 110869241
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95969458
4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110869536
N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 30850142
N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 100515884
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 100522840

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide (CID 95969443) is N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide is CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide?
The InChIKey is BLIVIUORVNOERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-16(11-4-7-13-14(8-11)20-9-19-13)21(17,18)12-5-2-10(15)3-6-12/h2-8H,9H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide has a molecular weight of 325.77 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 95969443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).