4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide

C20H20ClN3O3S2 — CID 40958226

IUPAC4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
SMILESO=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C20H20ClN3O3S2/c21-16-9-8-14(19(25)23-20-22-10-11-28-20)12-18(16)29(26,27)24-17-7-3-5-13-4-1-2-6-15(13)17/h1-2,4,6,8-9,12,17,24H,3,5,7,10-11H2,(H,22,23,25)/t17-/m0/s1
InChIKeyFOZNRUBLBFCBPO-KRWDZBQOSA-N
MW449.99 g/mol
LogP3.53
Rot. Bonds4

About 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide

4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide (PubChem CID 40958226) has the molecular formula C20H20ClN3O3S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
PubChem CID40958226
Molecular FormulaC20H20ClN3O3S2
Molecular Weight449.99 g/mol
Exact Mass449.06
IUPAC Name4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
SMILESO=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C20H20ClN3O3S2/c21-16-9-8-14(19(25)23-20-22-10-11-28-20)12-18(16)29(26,27)24-17-7-3-5-13-4-1-2-6-15(13)17/h1-2,4,6,8-9,12,17,24H,3,5,7,10-11H2,(H,22,23,25)/t17-/m0/s1
InChIKeyFOZNRUBLBFCBPO-KRWDZBQOSA-N
XLogP3.53
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 41226143
3-(cyclopropylsulfamoyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 9292477
3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55581388
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
4-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 41041121
6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide
CID 22582458
5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide
CID 28935901
4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
CID 93056592
4-chloro-2-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 40597380
4-chloro-3-(cyclopropylsulfamoyl)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109619
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide (CID 40958226) is 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide is O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1.
What is the InChIKey of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide?
The InChIKey is FOZNRUBLBFCBPO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20ClN3O3S2/c21-16-9-8-14(19(25)23-20-22-10-11-28-20)12-18(16)29(26,27)24-17-7-3-5-13-4-1-2-6-15(13)17/h1-2,4,6,8-9,12,17,24H,3,5,7,10-11H2,(H,22,23,25)/t17-/m0/s1.
What are the key properties of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide?
4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide has a molecular weight of 449.99 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide is sourced from PubChem (CID 40958226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).