5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride

C7H5Cl2NO4S — CID 131471167

IUPAC5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride
SMILESCc1cc(Cl)cc(S(=O)(=O)Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H5Cl2NO4S/c1-4-2-5(8)3-6(15(9,13)14)7(4)10(11)12/h2-3H,1H3
InChIKeyFNUVFRPZEVKJHR-UHFFFAOYSA-N
MW270.09 g/mol
LogP2.48
Rot. Bonds2

About 5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride

5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride (PubChem CID 131471167) has the molecular formula C7H5Cl2NO4S and a molecular weight of 270.09 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride
PubChem CID131471167
Molecular FormulaC7H5Cl2NO4S
Molecular Weight270.09 g/mol
Exact Mass268.93
IUPAC Name5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride
SMILESCc1cc(Cl)cc(S(=O)(=O)Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H5Cl2NO4S/c1-4-2-5(8)3-6(15(9,13)14)7(4)10(11)12/h2-3H,1H3
InChIKeyFNUVFRPZEVKJHR-UHFFFAOYSA-N
XLogP2.48
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-3-nitrobenzenesulfonyl chloride
CID 13307118
4,5-difluoro-2-methyl-3-nitrobenzenesulfonyl chloride
CID 131613440
2-methyl-5-nitrobenzenesulfonyl chloride
CID 8457
5-bromosulfonyl-2,4-dinitrobenzene-1,3-disulfonyl chloride
CID 54335107
5-chloro-2-ethoxy-3-nitrobenzenesulfonyl chloride
CID 172969753
5-chloro-2-cyano-3-nitrobenzenesulfonyl chloride
CID 131485088
2-cyano-4-methyl-3-nitrobenzenesulfonyl chloride
CID 131531171
5-chloro-2-methyl-3-nitrobenzenesulfonamide
CID 63839847
4-iodo-2-methyl-5-nitrobenzenesulfonyl chloride
CID 172969697
3-chloro-5-methyl-4-nitrobenzenesulfonamide
CID 135743483
3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride
CID 131319374
1,3-dichloro-4,5-dimethyl-2-nitrobenzene
CID 20726985

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride?
The IUPAC name of 5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride (CID 131471167) is 5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride is Cc1cc(Cl)cc(S(=O)(=O)Cl)c1[N+](=O)[O-].
What is the InChIKey of 5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride?
The InChIKey is FNUVFRPZEVKJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO4S/c1-4-2-5(8)3-6(15(9,13)14)7(4)10(11)12/h2-3H,1H3.
What are the key properties of 5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride?
5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride has a molecular weight of 270.09 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 131471167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).