6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

C13H18ClN3O4S2 — CID 2904

💊View drug profile → cyclopenthiazide
IUPAC6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O
InChIInChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)
InChIKeyBKYKPTRYDKTTJY-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.60
Rot. Bonds3

About 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 2904) has the molecular formula C13H18ClN3O4S2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID2904
Molecular FormulaC13H18ClN3O4S2
Molecular Weight379.89 g/mol
Exact Mass379.04
IUPAC Name6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O
InChIInChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)
InChIKeyBKYKPTRYDKTTJY-UHFFFAOYSA-N
XLogP1.60
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide with MolForge

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Related Compounds

Hydrochlorothiazide
CID 3639
Methyclothiazide
CID 4121
Polythiazide
CID 4870
Trichlormethiazide
CID 5560
Cyclothiazide
CID 2910
Althiazide
CID 2122
Bemetizide
CID 72070
Butizide
CID 16274
Benzylhydrochlorothiazide
CID 2348
Ethiazide
CID 15763
Epithiazide
CID 15671
Hydrobentizide
CID 71864

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (CID 2904) is 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O.
What is the InChIKey of 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is BKYKPTRYDKTTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19).
What are the key properties of 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 379.89 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 2904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).