5-chloro-2-ethoxy-4-methoxybenzenesulfonamide

C9H12ClNO4S — CID 23285648

IUPAC5-chloro-2-ethoxy-4-methoxybenzenesulfonamide
SMILESCCOc1cc(OC)c(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C9H12ClNO4S/c1-3-15-8-5-7(14-2)6(10)4-9(8)16(11,12)13/h4-5H,3H2,1-2H3,(H2,11,12,13)
InChIKeyLKBYNWLGGUXABR-UHFFFAOYSA-N
MW265.72 g/mol
LogP1.39
Rot. Bonds4

About 5-chloro-2-ethoxy-4-methoxybenzenesulfonamide

5-chloro-2-ethoxy-4-methoxybenzenesulfonamide (PubChem CID 23285648) has the molecular formula C9H12ClNO4S and a molecular weight of 265.72 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-4-methoxybenzenesulfonamide
PubChem CID23285648
Molecular FormulaC9H12ClNO4S
Molecular Weight265.72 g/mol
Exact Mass265.02
IUPAC Name5-chloro-2-ethoxy-4-methoxybenzenesulfonamide
SMILESCCOc1cc(OC)c(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C9H12ClNO4S/c1-3-15-8-5-7(14-2)6(10)4-9(8)16(11,12)13/h4-5H,3H2,1-2H3,(H2,11,12,13)
InChIKeyLKBYNWLGGUXABR-UHFFFAOYSA-N
XLogP1.39
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
ethyl 2-(5-chloro-2-ethoxy-4-methoxyphenyl)-2-oxoacetate
CID 117462293
3-(5-chloro-2-ethoxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117462479
4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide
CID 66542237
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
[1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117392540
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 1256461
2,5-dichloro-4-pent-3-ynoxybenzenesulfonamide
CID 104808576
2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide
CID 43560597
2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide
CID 935451
N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119962253

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-4-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-2-ethoxy-4-methoxybenzenesulfonamide (CID 23285648) is 5-chloro-2-ethoxy-4-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethoxy-4-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethoxy-4-methoxybenzenesulfonamide is CCOc1cc(OC)c(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-2-ethoxy-4-methoxybenzenesulfonamide?
The InChIKey is LKBYNWLGGUXABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO4S/c1-3-15-8-5-7(14-2)6(10)4-9(8)16(11,12)13/h4-5H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-chloro-2-ethoxy-4-methoxybenzenesulfonamide?
5-chloro-2-ethoxy-4-methoxybenzenesulfonamide has a molecular weight of 265.72 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-4-methoxybenzenesulfonamide is sourced from PubChem (CID 23285648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).