CID 70601990

C8H10ClNNaO3S — CID 70601990

IUPAC—
SMILESCNS(=O)(=O)c1cc(Cl)ccc1OC.[Na]
InChIInChI=1S/C8H10ClNO3S.Na/c1-10-14(11,12)8-5-6(9)3-4-7(8)13-2;/h3-5,10H,1-2H3;
InChIKeyDKVNIQQIKYSLMR-UHFFFAOYSA-N
MW258.68 g/mol
LogP0.88
Rot. Bonds3

About CID 70601990

CID 70601990 (PubChem CID 70601990) has the molecular formula C8H10ClNNaO3S and a molecular weight of 258.68 g/mol.

Molecular Properties

Compound NameCID 70601990
PubChem CID70601990
Molecular FormulaC8H10ClNNaO3S
Molecular Weight258.68 g/mol
Exact Mass258.00
IUPAC Name—
SMILESCNS(=O)(=O)c1cc(Cl)ccc1OC.[Na]
InChIInChI=1S/C8H10ClNO3S.Na/c1-10-14(11,12)8-5-6(9)3-4-7(8)13-2;/h3-5,10H,1-2H3;
InChIKeyDKVNIQQIKYSLMR-UHFFFAOYSA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
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methyl 5-chloro-2-methoxybenzenesulfonate
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5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
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5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
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5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of CID 70601990?
The IUPAC name of CID 70601990 (CID 70601990) is not available.
What is the SMILES notation for CID 70601990?
The canonical SMILES for CID 70601990 is CNS(=O)(=O)c1cc(Cl)ccc1OC.[Na].
What is the InChIKey of CID 70601990?
The InChIKey is DKVNIQQIKYSLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S.Na/c1-10-14(11,12)8-5-6(9)3-4-7(8)13-2;/h3-5,10H,1-2H3;.
What are the key properties of CID 70601990?
CID 70601990 has a molecular weight of 258.68 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70601990 is sourced from PubChem (CID 70601990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).