5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide

C9H14ClN3O4S2 — CID 47165013

IUPAC5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCS(=O)(=O)C2)c1Cl
InChIInChI=1S/C9H14ClN3O4S2/c1-13-6-11-9(8(13)10)19(16,17)12-4-7-2-3-18(14,15)5-7/h6-7,12H,2-5H2,1H3
InChIKeyAZHPTZYYCTZCAQ-UHFFFAOYSA-N
MW327.82 g/mol
LogP-0.21
Rot. Bonds4

About 5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 47165013) has the molecular formula C9H14ClN3O4S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide
PubChem CID47165013
Molecular FormulaC9H14ClN3O4S2
Molecular Weight327.82 g/mol
Exact Mass327.01
IUPAC Name5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCS(=O)(=O)C2)c1Cl
InChIInChI=1S/C9H14ClN3O4S2/c1-13-6-11-9(8(13)10)19(16,17)12-4-7-2-3-18(14,15)5-7/h6-7,12H,2-5H2,1H3
InChIKeyAZHPTZYYCTZCAQ-UHFFFAOYSA-N
XLogP-0.21
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide (CID 47165013) is 5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC2CCS(=O)(=O)C2)c1Cl.
What is the InChIKey of 5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is AZHPTZYYCTZCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O4S2/c1-13-6-11-9(8(13)10)19(16,17)12-4-7-2-3-18(14,15)5-7/h6-7,12H,2-5H2,1H3.
What are the key properties of 5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 327.82 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 47165013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).