3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C20H23N3O4S3 — CID 55896668

IUPAC3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3c(C)cc(C)c(NS(C)(=O)=O)c3C)cc2)cs1
InChIInChI=1S/C20H23N3O4S3/c1-12-10-13(2)20(14(3)19(12)23-29(5,24)25)30(26,27)22-17-8-6-16(7-9-17)18-11-28-15(4)21-18/h6-11,22-23H,1-5H3
InChIKeyDTMFCIOJEYKURZ-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.22
Rot. Bonds6

About 3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 55896668) has the molecular formula C20H23N3O4S3 and a molecular weight of 465.62 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID55896668
Molecular FormulaC20H23N3O4S3
Molecular Weight465.62 g/mol
Exact Mass465.09
IUPAC Name3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3c(C)cc(C)c(NS(C)(=O)=O)c3C)cc2)cs1
InChIInChI=1S/C20H23N3O4S3/c1-12-10-13(2)20(14(3)19(12)23-29(5,24)25)30(26,27)22-17-8-6-16(7-9-17)18-11-28-15(4)21-18/h6-11,22-23H,1-5H3
InChIKeyDTMFCIOJEYKURZ-UHFFFAOYSA-N
XLogP4.22
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 55879000
2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169
N-(6-chloro-3-pyridinyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 56532181
N-[4-(cyanomethyl)phenyl]-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 55895192
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide
CID 108780480
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
CID 122286623
2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 8841457
N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 55879659
3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8841398
5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 55589335
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 8002125
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286657

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 55896668) is 3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Cc1nc(-c2ccc(NS(=O)(=O)c3c(C)cc(C)c(NS(C)(=O)=O)c3C)cc2)cs1.
What is the InChIKey of 3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is DTMFCIOJEYKURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S3/c1-12-10-13(2)20(14(3)19(12)23-29(5,24)25)30(26,27)22-17-8-6-16(7-9-17)18-11-28-15(4)21-18/h6-11,22-23H,1-5H3.
What are the key properties of 3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 465.62 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55896668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).