4-chloro-5-methylbenzene-1,3-disulfonamide

C7H9ClN2O4S2 — CID 134098209

IUPAC4-chloro-5-methylbenzene-1,3-disulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C7H9ClN2O4S2/c1-4-2-5(15(9,11)12)3-6(7(4)8)16(10,13)14/h2-3H,1H3,(H2,9,11,12)(H2,10,13,14)
InChIKeyYASAESZJWJWWII-UHFFFAOYSA-N
MW284.75 g/mol
LogP-0.06
Rot. Bonds2

About 4-chloro-5-methylbenzene-1,3-disulfonamide

4-chloro-5-methylbenzene-1,3-disulfonamide (PubChem CID 134098209) has the molecular formula C7H9ClN2O4S2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-5-methylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name4-chloro-5-methylbenzene-1,3-disulfonamide
PubChem CID134098209
Molecular FormulaC7H9ClN2O4S2
Molecular Weight284.75 g/mol
Exact Mass283.97
IUPAC Name4-chloro-5-methylbenzene-1,3-disulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C7H9ClN2O4S2/c1-4-2-5(15(9,11)12)3-6(7(4)8)16(10,13)14/h2-3H,1H3,(H2,9,11,12)(H2,10,13,14)
InChIKeyYASAESZJWJWWII-UHFFFAOYSA-N
XLogP-0.06
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-chloro-5-methylbenzenesulfonamide
CID 171001910
4-chloro-3-fluoro-5-methylbenzenesulfonamide
CID 118838881
2-chloro-5-fluoro-3-methylbenzenesulfonamide
CID 119005031
3-chloro-2-(difluoromethyl)-6-methylpyridine-4-sulfonamide
CID 134674571
3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
2,5-dichloro-4-methylbenzenesulfonamide
CID 104727916
potassium (3,4-dichloro-5-sulfamoylphenyl)sulfonylazanide
CID 161295210
3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688
4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
CID 43175694
5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 877222
3-chloro-5-methyl-4-nitrobenzenesulfonamide
CID 135743483
potassium 5-amino-2-chloro-3-methylbenzenesulfonate
CID 101303823

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylbenzene-1,3-disulfonamide?
The IUPAC name of 4-chloro-5-methylbenzene-1,3-disulfonamide (CID 134098209) is 4-chloro-5-methylbenzene-1,3-disulfonamide.
What is the SMILES notation for 4-chloro-5-methylbenzene-1,3-disulfonamide?
The canonical SMILES for 4-chloro-5-methylbenzene-1,3-disulfonamide is Cc1cc(S(N)(=O)=O)cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 4-chloro-5-methylbenzene-1,3-disulfonamide?
The InChIKey is YASAESZJWJWWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O4S2/c1-4-2-5(15(9,11)12)3-6(7(4)8)16(10,13)14/h2-3H,1H3,(H2,9,11,12)(H2,10,13,14).
What are the key properties of 4-chloro-5-methylbenzene-1,3-disulfonamide?
4-chloro-5-methylbenzene-1,3-disulfonamide has a molecular weight of 284.75 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylbenzene-1,3-disulfonamide is sourced from PubChem (CID 134098209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).