2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide

C10H10ClN3O3S2 — CID 61249590

IUPAC2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cnc(Cl)s2)cn1
InChIInChI=1S/C10H10ClN3O3S2/c1-17-8-3-2-7(4-12-8)5-14-19(15,16)9-6-13-10(11)18-9/h2-4,6,14H,5H2,1H3
InChIKeyNABLAQLLYXODIV-UHFFFAOYSA-N
MW319.80 g/mol
LogP1.68
Rot. Bonds5

About 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61249590) has the molecular formula C10H10ClN3O3S2 and a molecular weight of 319.80 g/mol. Its IUPAC name is 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID61249590
Molecular FormulaC10H10ClN3O3S2
Molecular Weight319.80 g/mol
Exact Mass318.99
IUPAC Name2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cnc(Cl)s2)cn1
InChIInChI=1S/C10H10ClN3O3S2/c1-17-8-3-2-7(4-12-8)5-14-19(15,16)9-6-13-10(11)18-9/h2-4,6,14H,5H2,1H3
InChIKeyNABLAQLLYXODIV-UHFFFAOYSA-N
XLogP1.68
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106000806
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106268154
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61215673
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61051507
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide
CID 107651707
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62989325
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441
2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 81170323

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide (CID 61249590) is 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide is COc1ccc(CNS(=O)(=O)c2cnc(Cl)s2)cn1.
What is the InChIKey of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is NABLAQLLYXODIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S2/c1-17-8-3-2-7(4-12-8)5-14-19(15,16)9-6-13-10(11)18-9/h2-4,6,14H,5H2,1H3.
What are the key properties of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 319.80 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61249590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).