5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide

C16H17Cl2NO5S — CID 154755060

IUPAC5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CO)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO5S/c1-23-6-7-24-15-5-3-12(17)8-16(15)25(21,22)19-13-4-2-11(10-20)14(18)9-13/h2-5,8-9,19-20H,6-7,10H2,1H3
InChIKeyNASBKEWJWQRUKM-UHFFFAOYSA-N
MW406.29 g/mol
LogP3.31
Rot. Bonds8

About 5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide

5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 154755060) has the molecular formula C16H17Cl2NO5S and a molecular weight of 406.29 g/mol. Its IUPAC name is 5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide
PubChem CID154755060
Molecular FormulaC16H17Cl2NO5S
Molecular Weight406.29 g/mol
Exact Mass405.02
IUPAC Name5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CO)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO5S/c1-23-6-7-24-15-5-3-12(17)8-16(15)25(21,22)19-13-4-2-11(10-20)14(18)9-13/h2-5,8-9,19-20H,6-7,10H2,1H3
InChIKeyNASBKEWJWQRUKM-UHFFFAOYSA-N
XLogP3.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 167798625
4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 60520999
5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide
CID 57437853
5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide
CID 138046171
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 155945677
4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
CID 55624724
3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
CID 15943963
N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide
CID 155945670
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of 5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide (CID 154755060) is 5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CO)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is NASBKEWJWQRUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO5S/c1-23-6-7-24-15-5-3-12(17)8-16(15)25(21,22)19-13-4-2-11(10-20)14(18)9-13/h2-5,8-9,19-20H,6-7,10H2,1H3.
What are the key properties of 5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide?
5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 406.29 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 154755060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).