5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide

C9H9BrN4O2S2 — CID 154941608

IUPAC5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NCc2cccc(Br)c2)s1
InChIInChI=1S/C9H9BrN4O2S2/c10-7-3-1-2-6(4-7)5-12-8-13-14-9(17-8)18(11,15)16/h1-4H,5H2,(H,12,13)(H2,11,15,16)
InChIKeyKYSQKRXBACWCGY-UHFFFAOYSA-N
MW349.24 g/mol
LogP1.56
Rot. Bonds4

About 5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide

5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 154941608) has the molecular formula C9H9BrN4O2S2 and a molecular weight of 349.24 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID154941608
Molecular FormulaC9H9BrN4O2S2
Molecular Weight349.24 g/mol
Exact Mass347.94
IUPAC Name5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NCc2cccc(Br)c2)s1
InChIInChI=1S/C9H9BrN4O2S2/c10-7-3-1-2-6(4-7)5-12-8-13-14-9(17-8)18(11,15)16/h1-4H,5H2,(H,12,13)(H2,11,15,16)
InChIKeyKYSQKRXBACWCGY-UHFFFAOYSA-N
XLogP1.56
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61410338
5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622633
N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 79143800
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-bromophenyl)acetamide
CID 79512689
2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide
CID 61410493
3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359527
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-bromophenyl)acetamide
CID 4853418
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624499
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
2-amino-3-[(3-bromophenyl)methylamino]benzamide
CID 113332669
N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61401742

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide (CID 154941608) is 5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide is NS(=O)(=O)c1nnc(NCc2cccc(Br)c2)s1.
What is the InChIKey of 5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is KYSQKRXBACWCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2S2/c10-7-3-1-2-6(4-7)5-12-8-13-14-9(17-8)18(11,15)16/h1-4H,5H2,(H,12,13)(H2,11,15,16).
What are the key properties of 5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide?
5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 349.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 154941608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).