N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline

C11H11ClN2O2S2 — CID 168579595

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C11H11ClN2O2S2/c1-18(15,16)10-4-2-8(3-5-10)13-6-9-7-14-11(12)17-9/h2-5,7,13H,6H2,1H3
InChIKeyPBSOWYCHNBWESV-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.81
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline (PubChem CID 168579595) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
PubChem CID168579595
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C11H11ClN2O2S2/c1-18(15,16)10-4-2-8(3-5-10)13-6-9-7-14-11(12)17-9/h2-5,7,13H,6H2,1H3
InChIKeyPBSOWYCHNBWESV-UHFFFAOYSA-N
XLogP2.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 168579937
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 75434080
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 168579634
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 168583916
N-benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-methylbenzenesulfonamide
CID 168582182
N-(1-adamantyl)-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 168581558
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]boronic acid
CID 168583966
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
CID 168580395
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline (CID 168579595) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline is CS(=O)(=O)c1ccc(NCc2cnc(Cl)s2)cc1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline?
The InChIKey is PBSOWYCHNBWESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-18(15,16)10-4-2-8(3-5-10)13-6-9-7-14-11(12)17-9/h2-5,7,13H,6H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline has a molecular weight of 302.81 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline is sourced from PubChem (CID 168579595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).