4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline

C10H9F2N3O2S2 — CID 43683901

IUPAC4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline
SMILESO=S(=O)(c1ccc(NCc2csnn2)cc1)C(F)F
InChIInChI=1S/C10H9F2N3O2S2/c11-10(12)19(16,17)9-3-1-7(2-4-9)13-5-8-6-18-15-14-8/h1-4,6,10,13H,5H2
InChIKeyRSFVCNKKDJJQIT-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.15
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline

4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43683901) has the molecular formula C10H9F2N3O2S2 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43683901
Molecular FormulaC10H9F2N3O2S2
Molecular Weight305.33 g/mol
Exact Mass305.01
IUPAC Name4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline
SMILESO=S(=O)(c1ccc(NCc2csnn2)cc1)C(F)F
InChIInChI=1S/C10H9F2N3O2S2/c11-10(12)19(16,17)9-3-1-7(2-4-9)13-5-8-6-18-15-14-8/h1-4,6,10,13H,5H2
InChIKeyRSFVCNKKDJJQIT-UHFFFAOYSA-N
XLogP2.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethylsulfonyl)-N-(pyridazin-3-ylmethyl)aniline
CID 106832775
4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759433
N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfonyl)aniline
CID 43683904
4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663944
4-(difluoromethylsulfonyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]aniline
CID 133428215
4-(difluoromethylsulfonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
CID 54884844
4-fluoro-3-nitro-N-(thiadiazol-4-ylmethyl)aniline
CID 43719364
N-[(3-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfonyl)aniline
CID 78983812
4-(difluoromethylsulfonyl)-N-(2,2,2-trifluoroethyl)aniline
CID 43383566
4-(difluoromethylsulfonyl)-N-(2-propan-2-yloxyethyl)aniline
CID 104576936
5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine
CID 47053671
N-[(2-bromophenyl)methyl]-4-(difluoromethylsulfonyl)aniline
CID 43683883

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline (CID 43683901) is 4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline is O=S(=O)(c1ccc(NCc2csnn2)cc1)C(F)F.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is RSFVCNKKDJJQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2S2/c11-10(12)19(16,17)9-3-1-7(2-4-9)13-5-8-6-18-15-14-8/h1-4,6,10,13H,5H2.
What are the key properties of 4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline?
4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 305.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43683901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).