5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C10H11BrN4O2S2 — CID 106081247

IUPAC5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C10H11BrN4O2S2/c1-6-8(11)2-7(4-12)3-9(6)19(16,17)15-10-14-13-5-18-10/h2-3,5H,4,12H2,1H3,(H,14,15)
InChIKeyWRFCDPDFCCFXDL-UHFFFAOYSA-N
MW363.26 g/mol
LogP1.87
Rot. Bonds4

About 5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 106081247) has the molecular formula C10H11BrN4O2S2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID106081247
Molecular FormulaC10H11BrN4O2S2
Molecular Weight363.26 g/mol
Exact Mass361.95
IUPAC Name5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C10H11BrN4O2S2/c1-6-8(11)2-7(4-12)3-9(6)19(16,17)15-10-14-13-5-18-10/h2-3,5H,4,12H2,1H3,(H,14,15)
InChIKeyWRFCDPDFCCFXDL-UHFFFAOYSA-N
XLogP1.87
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide
CID 81488210
4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081250
5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061602
2-methyl-1-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-disulfonamide
CID 58302562
5-(aminomethyl)-3-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 81481745
5-(aminomethyl)-3-bromo-N-(3-iodophenyl)-2-methylbenzenesulfonamide
CID 106029454
5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106051610
5-(aminomethyl)-3-bromo-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016086
5-(aminomethyl)-3-bromo-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059205
3-bromo-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)benzoic acid
CID 79568457
1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106081189
4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75389571

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 106081247) is 5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1c(Br)cc(CN)cc1S(=O)(=O)Nc1nncs1.
What is the InChIKey of 5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is WRFCDPDFCCFXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2S2/c1-6-8(11)2-7(4-12)3-9(6)19(16,17)15-10-14-13-5-18-10/h2-3,5H,4,12H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 363.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106081247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).