4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C12H13Cl2N3O2S2 — CID 63841886

IUPAC4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncsc1CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H13Cl2N3O2S2/c1-7-11(20-6-16-7)5-17(2)21(18,19)12-9(13)3-8(15)4-10(12)14/h3-4,6H,5,15H2,1-2H3
InChIKeySEKBZEZGFKNCHR-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.16
Rot. Bonds4

About 4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 63841886) has the molecular formula C12H13Cl2N3O2S2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID63841886
Molecular FormulaC12H13Cl2N3O2S2
Molecular Weight366.30 g/mol
Exact Mass364.98
IUPAC Name4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncsc1CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H13Cl2N3O2S2/c1-7-11(20-6-16-7)5-17(2)21(18,19)12-9(13)3-8(15)4-10(12)14/h3-4,6H,5,15H2,1-2H3
InChIKeySEKBZEZGFKNCHR-UHFFFAOYSA-N
XLogP3.16
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63842918
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 55262102
2-amino-N,3,6-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103171520
2-amino-4,6-dibromo-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843936
5-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383229
5-amino-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843262
3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843263
3-chloro-4-(hydroxymethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 107090790
3-amino-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63842225
3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 81258946
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306091
5-chloro-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 55259471

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 63841886) is 4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1ncsc1CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is SEKBZEZGFKNCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S2/c1-7-11(20-6-16-7)5-17(2)21(18,19)12-9(13)3-8(15)4-10(12)14/h3-4,6H,5,15H2,1-2H3.
What are the key properties of 4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 366.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 63841886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).