2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide

C17H22Cl2N2O6S2 — CID 160787118

IUPAC2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(O)cc1Cl.COc1ccc(S(=O)(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C9H12ClNO3S.C8H10ClNO3S/c1-11(2)15(12,13)9-5-4-7(14-3)6-8(9)10;1-10(2)14(12,13)8-4-3-6(11)5-7(8)9/h4-6H,1-3H3;3-5,11H,1-2H3
InChIKeySBIUYQVHHURABN-UHFFFAOYSA-N
MW485.41 g/mol
LogP2.89
Rot. Bonds5

About 2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide

2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 160787118) has the molecular formula C17H22Cl2N2O6S2 and a molecular weight of 485.41 g/mol. Its IUPAC name is 2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID160787118
Molecular FormulaC17H22Cl2N2O6S2
Molecular Weight485.41 g/mol
Exact Mass484.03
IUPAC Name2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(O)cc1Cl.COc1ccc(S(=O)(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C9H12ClNO3S.C8H10ClNO3S/c1-11(2)15(12,13)9-5-4-7(14-3)6-8(9)10;1-10(2)14(12,13)8-4-3-6(11)5-7(8)9/h4-6H,1-3H3;3-5,11H,1-2H3
InChIKeySBIUYQVHHURABN-UHFFFAOYSA-N
XLogP2.89
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide (CID 160787118) is 2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(O)cc1Cl.COc1ccc(S(=O)(=O)N(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is SBIUYQVHHURABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S.C8H10ClNO3S/c1-11(2)15(12,13)9-5-4-7(14-3)6-8(9)10;1-10(2)14(12,13)8-4-3-6(11)5-7(8)9/h4-6H,1-3H3;3-5,11H,1-2H3.
What are the key properties of 2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide?
2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 485.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 160787118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).