N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide

C18H23ClN2O4S — CID 9030613

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)cc1OCC
InChIInChI=1S/C18H23ClN2O4S/c1-5-24-17-10-8-14(12-18(17)25-6-2)26(22,23)20-15-11-13(19)7-9-16(15)21(3)4/h7-12,20H,5-6H2,1-4H3
InChIKeyRRCDKXUIRFIKRA-UHFFFAOYSA-N
MW398.91 g/mol
LogP4.00
Rot. Bonds8

About N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide

N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide (PubChem CID 9030613) has the molecular formula C18H23ClN2O4S and a molecular weight of 398.91 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
PubChem CID9030613
Molecular FormulaC18H23ClN2O4S
Molecular Weight398.91 g/mol
Exact Mass398.11
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)cc1OCC
InChIInChI=1S/C18H23ClN2O4S/c1-5-24-17-10-8-14(12-18(17)25-6-2)26(22,23)20-15-11-13(19)7-9-16(15)21(3)4/h7-12,20H,5-6H2,1-4H3
InChIKeyRRCDKXUIRFIKRA-UHFFFAOYSA-N
XLogP4.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.91
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
N-(5-chloro-2-methoxyphenyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 6456783
3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 63422726
N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974
N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide
CID 55337128
N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
3,4-diethoxy-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60597563
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide
CID 6456762

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide (CID 9030613) is N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)cc1OCC.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide?
The InChIKey is RRCDKXUIRFIKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4S/c1-5-24-17-10-8-14(12-18(17)25-6-2)26(22,23)20-15-11-13(19)7-9-16(15)21(3)4/h7-12,20H,5-6H2,1-4H3.
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide?
N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide has a molecular weight of 398.91 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 9030613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).